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]+ 295.045576 158.5
[M+Na]+ 317.027518 166.9
[M-H]- 293.031024 158.6
[M+NH4]+ 312.072123 174.5
[M+K]+ 333.001458 162.6
[M+H-H2O]+ 277.035560 150.5
[M+HCOO]- 339.036501 174.7
[M+CH3COO]- 353.052151 206.4
[M+Na-2H]- 315.012966 158.3
[M]+ 294.03775142 157.0
[M]- 294.03884858 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.