CID 603970

2-(2-bromophenyl)-2-hydroxyacetic acid

Structural Information

Molecular Formula
C8H7BrO3
SMILES
C1=CC=C(C(=C1)C(C(=O)O)O)Br
InChI
InChI=1S/C8H7BrO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChIKey
YBNMJUAXERDNRJ-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

166
Patents

229.95786 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.965136 139.9
[M+Na]+ 252.947078 150.2
[M-H]- 228.950584 143.7
[M+NH4]+ 247.991683 159.9
[M+K]+ 268.921018 139.5
[M+H-H2O]+ 212.955120 140.2
[M+HCOO]- 274.956061 158.1
[M+CH3COO]- 288.971711 181.8
[M+Na-2H]- 250.932526 145.3
[M]+ 229.95731142 156.8
[M]- 229.95840858 156.8
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