CID 119006670

2-(2-bromo-4,6-difluorophenyl)acetic acid

Structural Information

Molecular Formula
C8H5BrF2O2
SMILES
C1=C(C=C(C(=C1F)CC(=O)O)Br)F
InChI
InChI=1S/C8H5BrF2O2/c9-6-1-4(10)2-7(11)5(6)3-8(12)13/h1-2H,3H2,(H,12,13)
InChIKey
NZRLLEVRABPWJN-UHFFFAOYSA-N
Compound name
2-(2-bromo-4,6-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]+ 250.951376 141.9
[M+Na]+ 272.933318 154.9
[M-H]- 248.936824 145.1
[M+NH4]+ 267.977923 162.4
[M+K]+ 288.907258 143.2
[M+H-H2O]+ 232.941360 140.8
[M+HCOO]- 294.942301 160.3
[M+CH3COO]- 308.957951 188.7
[M+Na-2H]- 270.918766 146.5
[M]+ 249.94355142 158.4
[M]- 249.94464858 158.4
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.