CID 2363664

565171-06-4

Structural Information

Molecular Formula
C16H12ClF3N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)CCl)C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C16H12ClF3N2O2/c17-9-14(23)21-12-5-1-3-10(7-12)15(24)22-13-6-2-4-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKey
NQICBDPFUAPOJE-UHFFFAOYSA-N
Compound name
3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.05392 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.06120 176.1
[M+Na]+ 379.04314 183.5
[M-H]- 355.04664 178.8
[M+NH4]+ 374.08774 189.0
[M+K]+ 395.01708 177.4
[M+H-H2O]+ 339.05118 166.4
[M+HCOO]- 401.05212 191.4
[M+CH3COO]- 415.06777 214.6
[M+Na-2H]- 377.02859 178.6
[M]+ 356.05337 173.9
[M]- 356.05447 173.9
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.