CID 87254

N-(2,6-dichloro-3-methylphenyl)acetamide

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
CC1=C(C(=C(C=C1)Cl)NC(=O)C)Cl
InChI
InChI=1S/C9H9Cl2NO/c1-5-3-4-7(10)9(8(5)11)12-6(2)13/h3-4H,1-2H3,(H,12,13)
InChIKey
CJKDFKCEXKPCBM-UHFFFAOYSA-N
Compound name
N-(2,6-dichloro-3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

217.00612 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.013396 141.8
[M+Na]+ 239.995338 152.4
[M-H]- 215.998844 145.6
[M+NH4]+ 235.039943 162.1
[M+K]+ 255.969278 147.3
[M+H-H2O]+ 200.003380 138.4
[M+HCOO]- 262.004321 157.2
[M+CH3COO]- 276.019971 189.4
[M+Na-2H]- 237.980786 145.7
[M]+ 217.00557142 145.2
[M]- 217.00666858 145.2
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

patents stripe