CID 131441158

1630535-65-7

Structural Information

Molecular Formula
C8H6BrClO3
SMILES
C1=CC(=C(C=C1Cl)Br)[C@@H](C(=O)O)O
InChI
InChI=1S/C8H6BrClO3/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m0/s1
InChIKey
MQOIIGBCPDYTDH-ZETCQYMHSA-N
Compound name
(2S)-2-(2-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 143.2
[M+Na]+ 286.90810 146.3
[M+NH4]+ 281.95270 147.2
[M+K]+ 302.88204 147.6
[M-H]- 262.91160 142.1
[M+Na-2H]- 284.89355 145.3
[M]+ 263.91833 142.2
[M]- 263.91943 142.2
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.