CID 2733428

(bromodifluoromethyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C19H15BrF2P
SMILES
C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C(F)(F)Br
InChI
InChI=1S/C19H15BrF2P/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H/q+1
InChIKey
SVYMHCRYHZSRKD-UHFFFAOYSA-N
Compound name
[bromo(difluoro)methyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

391.0063 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.01358 202.1
[M+Na]+ 413.99552 210.6
[M-H]- 389.99902 209.9
[M+NH4]+ 409.04012 216.5
[M+K]+ 429.96946 192.3
[M+H-H2O]+ 374.00356 199.0
[M+HCOO]- 436.00450 222.1
[M+CH3COO]- 450.02015 208.4
[M+Na-2H]- 411.98097 207.2
[M]+ 391.00575 215.6
[M]- 391.00685 215.6
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

No patent data available for this compound.