CID 28740315

2-(4-bromophenyl)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C8H5BrF2O2
SMILES
C1=CC(=CC=C1C(C(=O)O)(F)F)Br
InChI
InChI=1S/C8H5BrF2O2/c9-6-3-1-5(2-4-6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChIKey
ANGIHCJVNSDFOT-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

249.9441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95138 144.1
[M+Na]+ 272.93332 155.9
[M-H]- 248.93682 147.0
[M+NH4]+ 267.97792 164.2
[M+K]+ 288.90726 144.5
[M+H-H2O]+ 232.94136 143.3
[M+HCOO]- 294.94230 161.1
[M+CH3COO]- 308.95795 186.8
[M+Na-2H]- 270.91877 150.5
[M]+ 249.94355 159.5
[M]- 249.94465 159.5
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