CID 4376630

N-[3,5-bis(trifluoromethyl)phenyl]-2-chlorobenzamide

Structural Information

Molecular Formula
C15H8ClF6NO
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl
InChI
InChI=1S/C15H8ClF6NO/c16-12-4-2-1-3-11(12)13(24)23-10-6-8(14(17,18)19)5-9(7-10)15(20,21)22/h1-7H,(H,23,24)
InChIKey
JEJYGPXGKYMHAE-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

45
Patents

367.01987 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.02715 173.4
[M+Na]+ 390.00909 183.7
[M-H]- 366.01259 172.9
[M+NH4]+ 385.05369 186.5
[M+K]+ 405.98303 176.5
[M+H-H2O]+ 350.01713 162.0
[M+HCOO]- 412.01807 183.7
[M+CH3COO]- 426.03372 214.4
[M+Na-2H]- 387.99454 175.5
[M]+ 367.01932 167.5
[M]- 367.02042 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe