CID 54151887

1782532-03-9

Structural Information

Molecular Formula
C8H5BrF2O2
SMILES
C1=C(C=C(C(=C1CC(=O)O)Br)F)F
InChI
InChI=1S/C8H5BrF2O2/c9-8-4(2-7(12)13)1-5(10)3-6(8)11/h1,3H,2H2,(H,12,13)
InChIKey
OIIBMXMFBZDOTL-UHFFFAOYSA-N
Compound name
2-(2-bromo-3,5-difluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9441 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95138 148.4
[M+Na]+ 272.93332 150.5
[M+NH4]+ 267.97792 151.4
[M+K]+ 288.90726 150.8
[M-H]- 248.93682 145.6
[M+Na-2H]- 270.91877 149.5
[M]+ 249.94355 146.5
[M]- 249.94465 146.5
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

No patent data available for this compound.