CID 80117

N-(2-benzoyl-4-chlorophenyl)-2-chloro-n-methylacetamide

Structural Information

Molecular Formula
C16H13Cl2NO2
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CCl
InChI
InChI=1S/C16H13Cl2NO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
DSAWUUVGNZAARH-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

321.03235 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.03963 169.0
[M+Na]+ 344.02157 177.2
[M-H]- 320.02507 176.5
[M+NH4]+ 339.06617 184.9
[M+K]+ 359.99551 171.9
[M+H-H2O]+ 304.02961 162.8
[M+HCOO]- 366.03055 183.6
[M+CH3COO]- 380.04620 210.0
[M+Na-2H]- 342.00702 170.7
[M]+ 321.03180 174.2
[M]- 321.03290 174.2
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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