CID 20431635

2-chloro-n-[2-(trifluoromethyl)phenyl]propanamide

Structural Information

Molecular Formula
C10H9ClF3NO
SMILES
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)Cl
InChI
InChI=1S/C10H9ClF3NO/c1-6(11)9(16)15-8-5-3-2-4-7(8)10(12,13)14/h2-6H,1H3,(H,15,16)
InChIKey
LPZWGHVAKVEFNN-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03247 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03975 147.8
[M+Na]+ 274.02169 156.2
[M-H]- 250.02519 147.7
[M+NH4]+ 269.06629 165.6
[M+K]+ 289.99563 151.9
[M+H-H2O]+ 234.02973 140.5
[M+HCOO]- 296.03067 162.3
[M+CH3COO]- 310.04632 194.2
[M+Na-2H]- 272.00714 151.1
[M]+ 251.03192 145.2
[M]- 251.03302 145.2
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.