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]+ 215.079056 141.9
[M+Na]+ 237.060998 153.5
[M-H]- 213.064504 139.5
[M+NH4]+ 232.105603 160.7
[M+K]+ 253.034938 148.4
[M+H-H2O]+ 197.069040 133.1
[M+HCOO]- 259.069981 159.3
[M+CH3COO]- 273.085631 184.4
[M+Na-2H]- 235.046446 148.1
[M]+ 214.07123142 139.2
[M]- 214.07232858 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