CID 2724865

Nonyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C27H34P
SMILES
CCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C27H34P/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h8-16,18-23H,2-7,17,24H2,1H3/q+1
InChIKey
NFJZCDSVAUNSRA-UHFFFAOYSA-N
Compound name
nonyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

210
Patents

389.2398 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24708 210.3
[M+Na]+ 412.22902 211.8
[M-H]- 388.23252 216.5
[M+NH4]+ 407.27362 220.7
[M+K]+ 428.20296 199.1
[M+H-H2O]+ 372.23706 199.8
[M+HCOO]- 434.23800 233.9
[M+CH3COO]- 448.25365 217.9
[M+Na-2H]- 410.21447 211.5
[M]+ 389.23925 209.9
[M]- 389.24035 209.9
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