CID 9821295

Schembl14419352

Structural Information

Molecular Formula
C21H16ClNO4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)OCC(=O)N(C3=CC=CC=C3)O
InChI
InChI=1S/C21H16ClNO4/c22-16-11-12-19(18(13-16)21(25)15-7-3-1-4-8-15)27-14-20(24)23(26)17-9-5-2-6-10-17/h1-13,26H,14H2
InChIKey
WQWGOHCJTFTKJU-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chlorophenoxy)-N-hydroxy-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

381.07678 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08406 186.6
[M+Na]+ 404.06600 192.4
[M-H]- 380.06950 196.0
[M+NH4]+ 399.11060 197.8
[M+K]+ 420.03994 187.8
[M+H-H2O]+ 364.07404 177.5
[M+HCOO]- 426.07498 204.5
[M+CH3COO]- 440.09063 218.4
[M+Na-2H]- 402.05145 188.5
[M]+ 381.07623 190.4
[M]- 381.07733 190.4
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