CID 19346

Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C12H13F3N2
SMILES
CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C(F)(F)F
InChI
InChI=1S/C12H13F3N2/c1-11(2,3)7-4-5-8-9(6-7)17-10(16-8)12(13,14)15/h4-6H,1-3H3,(H,16,17)
InChIKey
AOWYBSYMYIAJEV-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

242.10309 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11037 152.6
[M+Na]+ 265.09231 163.8
[M-H]- 241.09581 150.3
[M+NH4]+ 260.13691 170.5
[M+K]+ 281.06625 158.7
[M+H-H2O]+ 225.10035 144.2
[M+HCOO]- 287.10129 167.7
[M+CH3COO]- 301.11694 190.3
[M+Na-2H]- 263.07776 158.6
[M]+ 242.10254 149.9
[M]- 242.10364 149.9
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