CID 114269

1h-benzimidazole, 1,2-dimethyl-5-(trifluoromethyl)-

Structural Information

Molecular Formula
C10H9F3N2
SMILES
CC1=NC2=C(N1C)C=CC(=C2)C(F)(F)F
InChI
InChI=1S/C10H9F3N2/c1-6-14-8-5-7(10(11,12)13)3-4-9(8)15(6)2/h3-5H,1-2H3
InChIKey
QIOYCRVQIQHGRR-UHFFFAOYSA-N
Compound name
1,2-dimethyl-5-(trifluoromethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

28
Patents

214.07178 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07906 141.4
[M+Na]+ 237.06100 154.4
[M-H]- 213.06450 140.8
[M+NH4]+ 232.10560 161.3
[M+K]+ 253.03494 150.2
[M+H-H2O]+ 197.06904 132.7
[M+HCOO]- 259.06998 160.4
[M+CH3COO]- 273.08563 188.2
[M+Na-2H]- 235.04645 147.4
[M]+ 214.07123 141.0
[M]- 214.07233 141.0
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