CID 3439494

2-chloro-n-{[(2,3,4-trifluorophenyl)carbamoyl]methyl}propanamide

Structural Information

Molecular Formula
C11H10ClF3N2O2
SMILES
CC(C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)Cl
InChI
InChI=1S/C11H10ClF3N2O2/c1-5(12)11(19)16-4-8(18)17-7-3-2-6(13)9(14)10(7)15/h2-3,5H,4H2,1H3,(H,16,19)(H,17,18)
InChIKey
UDEKLBHATAMXDF-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0383 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.04558 158.5
[M+Na]+ 317.02752 166.9
[M-H]- 293.03102 158.6
[M+NH4]+ 312.07212 174.5
[M+K]+ 333.00146 162.6
[M+H-H2O]+ 277.03556 150.5
[M+HCOO]- 339.03650 174.7
[M+CH3COO]- 353.05215 206.4
[M+Na-2H]- 315.01297 158.3
[M]+ 294.03775 157.0
[M]- 294.03885 157.0
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.