CID 198643

Benzimidazole, 5-methoxy-4,6,7-trifluoro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H4F6N2O
SMILES
COC1=C(C2=C(C(=C1F)F)NC(=N2)C(F)(F)F)F
InChI
InChI=1S/C9H4F6N2O/c1-18-7-3(11)2(10)5-6(4(7)12)17-8(16-5)9(13,14)15/h1H3,(H,16,17)
InChIKey
FNWIOHZZRITDOF-UHFFFAOYSA-N
Compound name
4,6,7-trifluoro-5-methoxy-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0228 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03008 164.2
[M+Na]+ 293.01202 170.2
[M+NH4]+ 288.05662 166.1
[M+K]+ 308.98596 167.5
[M-H]- 269.01552 157.1
[M+Na-2H]- 290.99747 164.1
[M]+ 270.02225 162.6
[M]- 270.02335 162.6
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.