CID 887920

5-bromo-2-hydroxyhippuric acid

Structural Information

Molecular Formula
C9H8BrNO4
SMILES
C1=CC(=C(C=C1Br)C(=O)NCC(=O)O)O
InChI
InChI=1S/C9H8BrNO4/c10-5-1-2-7(12)6(3-5)9(15)11-4-8(13)14/h1-3,12H,4H2,(H,11,15)(H,13,14)
InChIKey
MLEJEEMJARTMHI-UHFFFAOYSA-N
Compound name
2-[(5-bromo-2-hydroxybenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.96368 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.97096 149.0
[M+Na]+ 295.95290 149.6
[M+NH4]+ 290.99750 151.3
[M+K]+ 311.92684 152.2
[M-H]- 271.95640 147.3
[M+Na-2H]- 293.93835 149.8
[M]+ 272.96313 147.0
[M]- 272.96423 147.0
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.