CID 9881580

Salclobuzic acid

Structural Information

Molecular Formula
C11H12ClNO4
SMILES
C1=CC(=C(C=C1Cl)O)C(=O)NCCCC(=O)O
InChI
InChI=1S/C11H12ClNO4/c12-7-3-4-8(9(14)6-7)11(17)13-5-1-2-10(15)16/h3-4,6,14H,1-2,5H2,(H,13,17)(H,15,16)
InChIKey
GCVGCXMTCJMBHY-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-hydroxybenzoyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

495
Patents

257.04547 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05275 152.9
[M+Na]+ 280.03469 160.3
[M-H]- 256.03819 154.1
[M+NH4]+ 275.07929 169.2
[M+K]+ 296.00863 156.2
[M+H-H2O]+ 240.04273 148.1
[M+HCOO]- 302.04367 169.7
[M+CH3COO]- 316.05932 191.1
[M+Na-2H]- 278.02014 155.2
[M]+ 257.04492 155.0
[M]- 257.04602 155.0
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.