CID 2404823

2-chloro-n-(2-chloro-4-methylphenyl)acetamide

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
CC1=CC(=C(C=C1)NC(=O)CCl)Cl
InChI
InChI=1S/C9H9Cl2NO/c1-6-2-3-8(7(11)4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKey
KXMOYTJTIBDNBN-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloro-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

217.00612 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01340 142.4
[M+Na]+ 239.99534 152.0
[M-H]- 215.99884 145.7
[M+NH4]+ 235.03994 162.3
[M+K]+ 255.96928 146.9
[M+H-H2O]+ 200.00338 138.6
[M+HCOO]- 262.00432 157.7
[M+CH3COO]- 276.01997 188.2
[M+Na-2H]- 237.98079 146.9
[M]+ 217.00557 145.4
[M]- 217.00667 145.4
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