CID 162345496

Ns00133056

Structural Information

Molecular Formula
C16H12ClNO3
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)C=O
InChI
InChI=1S/C16H12ClNO3/c1-18(15(20)10-19)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
SLGZLYVCLJFZMO-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-N-methyl-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05057 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.057846 165.1
[M+Na]+ 324.039788 173.0
[M-H]- 300.043294 173.4
[M+NH4]+ 319.084393 181.0
[M+K]+ 340.013728 169.1
[M+H-H2O]+ 284.047830 157.9
[M+HCOO]- 346.048771 185.1
[M+CH3COO]- 360.064421 207.1
[M+Na-2H]- 322.025236 167.6
[M]+ 301.05002142 169.5
[M]- 301.05111858 169.5
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.