CID 71771

Aceclofenac

Structural Information

Molecular Formula
C16H13Cl2NO4
SMILES
C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)
InChIKey
MNIPYSSQXLZQLJ-UHFFFAOYSA-N
Compound name
2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

459
References

17281
Patents

353.02216 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.02944 175.9
[M+Na]+ 376.01138 189.6
[M+NH4]+ 371.05598 182.6
[M+K]+ 391.98532 182.6
[M-H]- 352.01488 178.8
[M+Na-2H]- 373.99683 182.8
[M]+ 353.02161 179.1
[M]- 353.02271 179.1
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

patents stripe