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 148.3
[M+Na]+ 295.95290 158.1
[M-H]- 271.95640 152.0
[M+NH4]+ 290.99750 166.3
[M+K]+ 311.92684 146.9
[M+H-H2O]+ 255.96094 147.4
[M+HCOO]- 317.96188 167.3
[M+CH3COO]- 331.97753 191.2
[M+Na-2H]- 293.93835 152.7
[M]+ 272.96313 165.6
[M]- 272.96423 165.6
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.