CID 70798

2-chloro-n-(2,6-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCl
InChI
InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
FPQQSNUTBWFFLB-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

548
Patents

197.06075 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.068026 140.8
[M+Na]+ 220.049968 149.7
[M-H]- 196.053474 144.8
[M+NH4]+ 215.094573 161.3
[M+K]+ 236.023908 145.9
[M+H-H2O]+ 180.058010 136.1
[M+HCOO]- 242.058951 161.0
[M+CH3COO]- 256.074601 186.6
[M+Na-2H]- 218.035416 145.6
[M]+ 197.06020142 143.1
[M]- 197.06129858 143.1
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