CID 55952

Brn 0887936

Structural Information

Molecular Formula
C10H9F3N2O2
SMILES
COC1=C(C=C2C(=C1)NC(=N2)C(F)(F)F)OC
InChI
InChI=1S/C10H9F3N2O2/c1-16-7-3-5-6(4-8(7)17-2)15-9(14-5)10(11,12)13/h3-4H,1-2H3,(H,14,15)
InChIKey
KKUSEXKTNFXEAQ-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06161 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06889 148.3
[M+Na]+ 269.05083 160.5
[M-H]- 245.05433 146.3
[M+NH4]+ 264.09543 165.9
[M+K]+ 285.02477 156.5
[M+H-H2O]+ 229.05887 139.5
[M+HCOO]- 291.05981 166.1
[M+CH3COO]- 305.07546 189.7
[M+Na-2H]- 267.03628 153.9
[M]+ 246.06106 148.8
[M]- 246.06216 148.8
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.