CID 60825179

4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C14H9Cl2NO4
SMILES
C1=CC(=C(C=C1C(=O)O)O)NC(=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl2NO4/c15-9-3-8(4-10(16)6-9)13(19)17-11-2-1-7(14(20)21)5-12(11)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKey
RGISOLFSSBPMSO-UHFFFAOYSA-N
Compound name
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

324.99088 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99816 164.7
[M+Na]+ 347.98010 174.1
[M-H]- 323.98360 169.2
[M+NH4]+ 343.02470 178.8
[M+K]+ 363.95404 168.1
[M+H-H2O]+ 307.98814 159.9
[M+HCOO]- 369.98908 177.0
[M+CH3COO]- 384.00473 203.0
[M+Na-2H]- 345.96555 166.2
[M]+ 324.99033 167.9
[M]- 324.99143 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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