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

499
Patents

257.04547 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.052746 152.9
[M+Na]+ 280.034688 160.3
[M-H]- 256.038194 154.1
[M+NH4]+ 275.079293 169.2
[M+K]+ 296.008628 156.2
[M+H-H2O]+ 240.042730 148.1
[M+HCOO]- 302.043671 169.7
[M+CH3COO]- 316.059321 191.1
[M+Na-2H]- 278.020136 155.2
[M]+ 257.04492142 155.0
[M]- 257.04601858 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.