CID 84956

Dodecyltriphenylphosphonium

Structural Information

Molecular Formula
C30H40P
SMILES
CCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C30H40P/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30/h11-19,21-26H,2-10,20,27H2,1H3/q+1
InChIKey
VZXRCMCRCZBKEZ-UHFFFAOYSA-N
Compound name
dodecyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

1002
Patents

431.28677 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.29405 224.4
[M+Na]+ 454.27599 224.4
[M-H]- 430.27949 229.9
[M+NH4]+ 449.32059 232.9
[M+K]+ 470.24993 211.1
[M+H-H2O]+ 414.28403 213.2
[M+HCOO]- 476.28497 246.8
[M+CH3COO]- 490.30062 226.6
[M+Na-2H]- 452.26144 223.8
[M]+ 431.28622 224.9
[M]- 431.28732 224.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe