CID 52908115

1311314-95-0

Structural Information

Molecular Formula
C10H8ClF4NO
SMILES
C1=CC(=C(C=C1F)C(F)(F)F)CNC(=O)CCl
InChI
InChI=1S/C10H8ClF4NO/c11-4-9(17)16-5-6-1-2-7(12)3-8(6)10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKey
HRGWDZDMRIGQLM-UHFFFAOYSA-N
Compound name
2-chloro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.02304 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03032 150.3
[M+Na]+ 292.01226 159.9
[M-H]- 268.01576 149.0
[M+NH4]+ 287.05686 167.6
[M+K]+ 307.98620 154.6
[M+H-H2O]+ 252.02030 142.0
[M+HCOO]- 314.02124 164.6
[M+CH3COO]- 328.03689 197.3
[M+Na-2H]- 289.99771 153.5
[M]+ 269.02249 147.4
[M]- 269.02359 147.4
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.