PubChemLite - 1798782-02-1 (C37H54ClP)

Structural Information

Molecular Formula

SMILES

C/C=C/CC1=C(C=CC(=C1P(C2CCCCC2)C3CCCCC3)C4=C(C=C(C=C4C(C)C)C(C)C)C(C)C)Cl

InChI

InChI=1S/C37H54ClP/c1-8-9-20-31-35(38)22-21-32(36-33(26(4)5)23-28(25(2)3)24-34(36)27(6)7)37(31)39(29-16-12-10-13-17-29)30-18-14-11-15-19-30/h8-9,21-27,29-30H,10-20H2,1-7H3/b9-8+

InChIKey

GFOJZPQWVNRJOC-CMDGGOBGSA-N

Compound name

[2-[(E)-but-2-enyl]-3-chloro-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane

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]+	565.37248	247.7
[M+Na]+	587.35442	245.3
[M-H]-	563.35792	254.9
[M+NH4]+	582.39902	252.4
[M+K]+	603.32836	236.7
[M+H-H2O]+	547.36246	234.3
[M+HCOO]-	609.36340	254.5
[M+CH3COO]-	623.37905	262.4
[M+Na-2H]-	585.33987	228.8
[M]+	564.36465	243.0
[M]-	564.36575	243.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

565.37248

247.7

[M+Na]+

587.35442

245.3

[M-H]-

563.35792

254.9

[M+NH4]+

582.39902

252.4

[M+K]+

603.32836

236.7

[M+H-H2O]+

547.36246

234.3

[M+HCOO]-

609.36340

254.5

[M+CH3COO]-

623.37905

262.4

[M+Na-2H]-

585.33987

228.8

[M]+

564.36465

243.0

[M]-

564.36575

243.0

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

1798782-02-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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