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
1
Annotation Hits

0
References

52
Patents

217.00612 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01340 141.8
[M+Na]+ 239.99534 152.4
[M-H]- 215.99884 145.6
[M+NH4]+ 235.03994 162.1
[M+K]+ 255.96928 147.3
[M+H-H2O]+ 200.00338 138.4
[M+HCOO]- 262.00432 157.2
[M+CH3COO]- 276.01997 189.4
[M+Na-2H]- 237.98079 145.7
[M]+ 217.00557 145.2
[M]- 217.00667 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