CID 47002632

2-(4-bromo-2-hydroxyphenyl)-2-oxoacetic acid

Structural Information

Molecular Formula
C8H5BrO4
SMILES
C1=CC(=C(C=C1Br)O)C(=O)C(=O)O
InChI
InChI=1S/C8H5BrO4/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,10H,(H,12,13)
InChIKey
ZEVSDILNYWGVMN-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-hydroxyphenyl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

243.93712 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.94440 139.4
[M+Na]+ 266.92634 141.4
[M+NH4]+ 261.97094 142.5
[M+K]+ 282.90028 144.0
[M-H]- 242.92984 137.7
[M+Na-2H]- 264.91179 141.1
[M]+ 243.93657 137.7
[M]- 243.93767 137.7
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

patents stripe