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 148.5
[M+Na]+ 293.01202 163.1
[M-H]- 269.01552 143.3
[M+NH4]+ 288.05662 165.4
[M+K]+ 308.98596 157.4
[M+H-H2O]+ 253.02006 137.7
[M+HCOO]- 315.02100 163.0
[M+CH3COO]- 329.03665 195.7
[M+Na-2H]- 290.99747 151.4
[M]+ 270.02225 144.3
[M]- 270.02335 144.3
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.