CID 473550

4-acetamido-2-(2-chlorobenzoyl)benzoic acid

Structural Information

Molecular Formula
C16H12ClNO4
SMILES
CC(=O)NC1=CC(=C(C=C1)C(=O)O)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C16H12ClNO4/c1-9(19)18-10-6-7-11(16(21)22)13(8-10)15(20)12-4-2-3-5-14(12)17/h2-8H,1H3,(H,18,19)(H,21,22)
InChIKey
YIECADSKEMIIOE-UHFFFAOYSA-N
Compound name
4-acetamido-2-(2-chlorobenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.04547 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05275 167.7
[M+Na]+ 340.03469 175.5
[M-H]- 316.03819 173.6
[M+NH4]+ 335.07929 181.8
[M+K]+ 356.00863 170.8
[M+H-H2O]+ 300.04273 161.3
[M+HCOO]- 362.04367 185.0
[M+CH3COO]- 376.05932 205.7
[M+Na-2H]- 338.02014 168.7
[M]+ 317.04492 170.3
[M]- 317.04602 170.3
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

No patent data available for this compound.