CID 584152

2,2,2-trichloro-n-(2-methylphenyl)acetamide

Structural Information

Molecular Formula
C9H8Cl3NO
SMILES
CC1=CC=CC=C1NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C9H8Cl3NO/c1-6-4-2-3-5-7(6)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey
BZXIBNBKWPPYDN-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.96715 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.974426 149.7
[M+Na]+ 273.956368 158.8
[M-H]- 249.959874 152.0
[M+NH4]+ 269.000973 168.1
[M+K]+ 289.930308 153.1
[M+H-H2O]+ 233.964410 146.7
[M+HCOO]- 295.965351 158.1
[M+CH3COO]- 309.981001 192.1
[M+Na-2H]- 271.941816 154.4
[M]+ 250.96660142 151.9
[M]- 250.96769858 151.9
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