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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.