CID 99165

Acetamide, 2,2,2-trichloro-n-(3-methylphenyl)-

Structural Information

Molecular Formula
C9H8Cl3NO
SMILES
CC1=CC(=CC=C1)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C9H8Cl3NO/c1-6-3-2-4-7(5-6)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey
WJTMDWHORSRZQN-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.96715 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.97443 149.7
[M+Na]+ 273.95637 158.8
[M-H]- 249.95987 152.0
[M+NH4]+ 269.00097 168.1
[M+K]+ 289.93031 153.1
[M+H-H2O]+ 233.96441 146.7
[M+HCOO]- 295.96535 158.1
[M+CH3COO]- 309.98100 192.1
[M+Na-2H]- 271.94182 154.4
[M]+ 250.96660 151.9
[M]- 250.96770 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