CID 43244646

2-chloro-n-[4-acetamido-2-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C11H10ClF3N2O2
SMILES
CC(=O)NC1=CC(=C(C=C1)NC(=O)CCl)C(F)(F)F
InChI
InChI=1S/C11H10ClF3N2O2/c1-6(18)16-7-2-3-9(17-10(19)5-12)8(4-7)11(13,14)15/h2-4H,5H2,1H3,(H,16,18)(H,17,19)
InChIKey
HPHWDPIGOKSTAL-UHFFFAOYSA-N
Compound name
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0383 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.045576 158.8
[M+Na]+ 317.027518 167.0
[M-H]- 293.031024 158.8
[M+NH4]+ 312.072123 174.7
[M+K]+ 333.001458 162.6
[M+H-H2O]+ 277.035560 151.0
[M+HCOO]- 339.036501 174.4
[M+CH3COO]- 353.052151 203.9
[M+Na-2H]- 315.012966 161.3
[M]+ 294.03775142 156.8
[M]- 294.03884858 156.8
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

No patent data available for this compound.