CID 55934

Benzimidazole, 5-ethyl-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C10H9F3N2
SMILES
CCC1=CC2=C(C=C1)N=C(N2)C(F)(F)F
InChI
InChI=1S/C10H9F3N2/c1-2-6-3-4-7-8(5-6)15-9(14-7)10(11,12)13/h3-5H,2H2,1H3,(H,14,15)
InChIKey
DPMJZEGWBKIXDX-UHFFFAOYSA-N
Compound name
6-ethyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

214.07178 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07906 141.9
[M+Na]+ 237.06100 153.5
[M-H]- 213.06450 139.5
[M+NH4]+ 232.10560 160.7
[M+K]+ 253.03494 148.4
[M+H-H2O]+ 197.06904 133.1
[M+HCOO]- 259.06998 159.3
[M+CH3COO]- 273.08563 184.4
[M+Na-2H]- 235.04645 148.1
[M]+ 214.07123 139.2
[M]- 214.07233 139.2
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

patents stripe