CID 75797

2-chloro-n-methyl-n-phenylacetamide

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CN(C1=CC=CC=C1)C(=O)CCl
InChI
InChI=1S/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
VUOFGWLJEBESHL-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

197
Patents

183.04509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 136.7
[M+Na]+ 206.034308 144.3
[M-H]- 182.037814 141.7
[M+NH4]+ 201.078913 157.8
[M+K]+ 222.008248 142.1
[M+H-H2O]+ 166.042350 131.4
[M+HCOO]- 228.043291 157.8
[M+CH3COO]- 242.058941 184.8
[M+Na-2H]- 204.019756 142.8
[M]+ 183.04454142 139.3
[M]- 183.04563858 139.3
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

patents stripe