CID 498160

7301-93-1

Structural Information

Molecular Formula
C20H19BrP
SMILES
C1=CC=C(C=C1)[P+](CCBr)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H19BrP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2/q+1
InChIKey
HOJNLEGVXFKSJI-UHFFFAOYSA-N
Compound name
2-bromoethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

118
Patents

369.04077 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.04805 198.0
[M+Na]+ 392.02999 205.5
[M-H]- 368.03349 207.8
[M+NH4]+ 387.07459 213.3
[M+K]+ 408.00393 187.5
[M+H-H2O]+ 352.03803 196.2
[M+HCOO]- 414.03897 221.2
[M+CH3COO]- 428.05462 205.9
[M+Na-2H]- 390.01544 202.9
[M]+ 369.04022 214.3
[M]- 369.04132 214.3
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