CID 55944

89427-02-1

Structural Information

Molecular Formula
C9H6ClF3N2O
SMILES
COC1=C(C=CC2=C1N=C(N2)C(F)(F)F)Cl
InChI
InChI=1S/C9H6ClF3N2O/c1-16-7-4(10)2-3-5-6(7)15-8(14-5)9(11,12)13/h2-3H,1H3,(H,14,15)
InChIKey
ITEGNHZULKQUEH-UHFFFAOYSA-N
Compound name
5-chloro-4-methoxy-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.01207 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01935 145.7
[M+Na]+ 273.00129 159.1
[M-H]- 249.00479 143.5
[M+NH4]+ 268.04589 164.0
[M+K]+ 288.97523 153.1
[M+H-H2O]+ 233.00933 137.5
[M+HCOO]- 295.01027 158.9
[M+CH3COO]- 309.02592 188.4
[M+Na-2H]- 270.98674 151.3
[M]+ 250.01152 146.3
[M]- 250.01262 146.3
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.