CID 79018152

2-(3-bromo-4-chlorophenyl)-2-hydroxyacetic acid

Structural Information

Molecular Formula
C8H6BrClO3
SMILES
C1=CC(=C(C=C1C(C(=O)O)O)Br)Cl
InChI
InChI=1S/C8H6BrClO3/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChIKey
BLQLDUGKXMFTKB-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-chlorophenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.91888 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.92616 142.6
[M+Na]+ 286.90810 154.9
[M-H]- 262.91160 146.8
[M+NH4]+ 281.95270 162.6
[M+K]+ 302.88204 142.1
[M+H-H2O]+ 246.91614 144.2
[M+HCOO]- 308.91708 156.6
[M+CH3COO]- 322.93273 186.6
[M+Na-2H]- 284.89355 147.3
[M]+ 263.91833 161.9
[M]- 263.91943 161.9
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.