CID 3084209

(cyclopropylmethyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C22H22P
SMILES
C1CC1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H22P/c1-4-10-20(11-5-1)23(18-19-16-17-19,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19H,16-18H2/q+1
InChIKey
BHGACZREOIYQQU-UHFFFAOYSA-N
Compound name
cyclopropylmethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

317.1459 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15318 170.0
[M+Na]+ 340.13512 175.5
[M-H]- 316.13862 180.8
[M+NH4]+ 335.17972 178.9
[M+K]+ 356.10906 165.6
[M+H-H2O]+ 300.14316 161.2
[M+HCOO]- 362.14410 196.6
[M+CH3COO]- 376.15975 204.2
[M+Na-2H]- 338.12057 175.6
[M]+ 317.14535 168.8
[M]- 317.14645 168.8
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