CID 87754

2-bromophenylacetic acid

Structural Information

Molecular Formula
C8H7BrO2
SMILES
C1=CC=C(C(=C1)CC(=O)O)Br
InChI
InChI=1S/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
DWXSYDKEWORWBT-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1778
Patents

213.96294 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97022 135.0
[M+Na]+ 236.95216 138.3
[M+NH4]+ 231.99676 139.7
[M+K]+ 252.92610 138.7
[M-H]- 212.95566 135.0
[M+Na-2H]- 234.93761 138.6
[M]+ 213.96239 134.2
[M]- 213.96349 134.2
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