CID 226887

2-chloro-n-(3,4-dimethylphenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

197.06075 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 140.7
[M+Na]+ 220.04997 154.1
[M+NH4]+ 215.09457 149.6
[M+K]+ 236.02391 146.9
[M-H]- 196.05347 143.5
[M+Na-2H]- 218.03542 147.7
[M]+ 197.06020 143.6
[M]- 197.06130 143.6
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