CID 15725

5,6-dimethyl-2-trifluoromethylbenzimidazole

Structural Information

Molecular Formula
C10H9F3N2
SMILES
CC1=CC2=C(C=C1C)N=C(N2)C(F)(F)F
InChI
InChI=1S/C10H9F3N2/c1-5-3-7-8(4-6(5)2)15-9(14-7)10(11,12)13/h3-4H,1-2H3,(H,14,15)
InChIKey
TWDHFGXLFNUIKC-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

214.07178 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07906 141.9
[M+Na]+ 237.06100 154.5
[M-H]- 213.06450 139.9
[M+NH4]+ 232.10560 161.1
[M+K]+ 253.03494 149.3
[M+H-H2O]+ 197.06904 133.5
[M+HCOO]- 259.06998 159.3
[M+CH3COO]- 273.08563 185.6
[M+Na-2H]- 235.04645 147.4
[M]+ 214.07123 139.6
[M]- 214.07233 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe