PubChemLite - (2r,5r)-1-[2-[(2r,5r)-2,5-diphenylphospholan-1-yl]ethyl]-2,5-diphenylphospholane (C34H36P2)

Structural Information

Molecular Formula

SMILES

C1C[C@@H](P([C@H]1C2=CC=CC=C2)CCP3[C@H](CC[C@@H]3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H36P2/c1-5-13-27(14-6-1)31-21-22-32(28-15-7-2-8-16-28)35(31)25-26-36-33(29-17-9-3-10-18-29)23-24-34(36)30-19-11-4-12-20-30/h1-20,31-34H,21-26H2/t31-,32-,33-,34-/m1/s1

InChIKey

VHHAZLMVLLIMHT-YFRBGRBWSA-N

Compound name

(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylphospholan-1-yl]ethyl]-2,5-diphenylphospholane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	507.23650	226.2
[M+Na]+	529.21844	225.7
[M-H]-	505.22194	239.5
[M+NH4]+	524.26304	234.5
[M+K]+	545.19238	217.5
[M+H-H2O]+	489.22648	209.2
[M+HCOO]-	551.22742	252.7
[M+CH3COO]-	565.24307	231.6
[M+Na-2H]-	527.20389	210.4
[M]+	506.22867	218.4
[M]-	506.22977	218.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.23650

226.2

[M+Na]+

529.21844

225.7

[M-H]-

505.22194

239.5

[M+NH4]+

524.26304

234.5

[M+K]+

545.19238

217.5

[M+H-H2O]+

489.22648

209.2

[M+HCOO]-

551.22742

252.7

[M+CH3COO]-

565.24307

231.6

[M+Na-2H]-

527.20389

210.4

[M]+

506.22867

218.4

[M]-

506.22977

218.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(2r,5r)-1-[2-[(2r,5r)-2,5-diphenylphospholan-1-yl]ethyl]-2,5-diphenylphospholane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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