CID 4437006

(3-bromobutyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C22H23BrP
SMILES
CC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br
InChI
InChI=1S/C22H23BrP/c1-19(23)17-18-24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3/q+1
InChIKey
VWCMRQMDEQHCRL-UHFFFAOYSA-N
Compound name
3-bromobutyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

397.07208 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07936 207.4
[M+Na]+ 420.06130 213.7
[M-H]- 396.06480 216.9
[M+NH4]+ 415.10590 221.5
[M+K]+ 436.03524 195.7
[M+H-H2O]+ 380.06934 205.2
[M+HCOO]- 442.07028 228.9
[M+CH3COO]- 456.08593 212.0
[M+Na-2H]- 418.04675 210.1
[M]+ 397.07153 223.7
[M]- 397.07263 223.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe