CID 17825

2,2-dichloro-n-(4-methylphenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

10
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 150.9
[M-H]- 215.99884 145.6
[M+NH4]+ 235.03994 162.1
[M+K]+ 255.96928 146.2
[M+H-H2O]+ 200.00338 138.5
[M+HCOO]- 262.00432 156.9
[M+CH3COO]- 276.01997 188.0
[M+Na-2H]- 237.98079 146.5
[M]+ 217.00557 144.6
[M]- 217.00667 144.6
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