CID 46886128

2-chloro-n-{4-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]phenyl}acetamide

Structural Information

Molecular Formula
C16H11ClF3N3O
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)NC(=O)CCl
InChI
InChI=1S/C16H11ClF3N3O/c17-8-14(24)21-11-4-1-9(2-5-11)15-22-12-6-3-10(16(18,19)20)7-13(12)23-15/h1-7H,8H2,(H,21,24)(H,22,23)
InChIKey
UUAFDQIDWWPMQG-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

353.05426 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.06154 175.4
[M+Na]+ 376.04348 186.3
[M-H]- 352.04698 176.1
[M+NH4]+ 371.08808 188.7
[M+K]+ 392.01742 177.9
[M+H-H2O]+ 336.05152 165.0
[M+HCOO]- 398.05246 188.0
[M+CH3COO]- 412.06811 209.3
[M+Na-2H]- 374.02893 179.2
[M]+ 353.05371 174.6
[M]- 353.05481 174.6
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