PubChemLite - 69365-97-5 (C34H36OP)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C(=C1/C=C/C(=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C)C)C)OC

InChI

InChI=1S/C34H36OP/c1-26(21-22-33-27(2)25-34(35-5)29(4)28(33)3)23-24-36(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32/h6-23,25H,24H2,1-5H3/q+1/b22-21+,26-23+

InChIKey

FBJRLPIRENQIND-OVSCGYIVSA-N

Compound name

[(2E,4E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpenta-2,4-dienyl]-triphenylphosphanium

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]+	492.25765	237.0
[M+Na]+	514.23959	240.0
[M-H]-	490.24309	247.0
[M+NH4]+	509.28419	243.3
[M+K]+	530.21353	226.2
[M+H-H2O]+	474.24763	224.7
[M+HCOO]-	536.24857	258.5
[M+CH3COO]-	550.26422	237.9
[M+Na-2H]-	512.22504	233.0
[M]+	491.24982	236.4
[M]-	491.25092	236.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.25765

237.0

[M+Na]+

514.23959

240.0

[M-H]-

490.24309

247.0

[M+NH4]+

509.28419

243.3

[M+K]+

530.21353

226.2

[M+H-H2O]+

474.24763

224.7

[M+HCOO]-

536.24857

258.5

[M+CH3COO]-

550.26422

237.9

[M+Na-2H]-

512.22504

233.0

[M]+

491.24982

236.4

[M]-

491.25092

236.4

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

69365-97-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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