CID 725785

362594-28-3

Structural Information

Molecular Formula
C10H7ClF3N3O
SMILES
C1=CC2=C(C=C1NC(=O)CCl)NC(=N2)C(F)(F)F
InChI
InChI=1S/C10H7ClF3N3O/c11-4-8(18)15-5-1-2-6-7(3-5)17-9(16-6)10(12,13)14/h1-3H,4H2,(H,15,18)(H,16,17)
InChIKey
JAAQGVSKJAZHKT-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.02298 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.03026 153.1
[M+Na]+ 300.01220 164.3
[M-H]- 276.01570 150.6
[M+NH4]+ 295.05680 169.6
[M+K]+ 315.98614 157.9
[M+H-H2O]+ 260.02024 144.3
[M+HCOO]- 322.02118 166.3
[M+CH3COO]- 336.03683 194.4
[M+Na-2H]- 297.99765 158.4
[M]+ 277.02243 151.7
[M]- 277.02353 151.7
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.