CID 120229

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

Structural Information

Molecular Formula
C9H7F3N2
SMILES
CC1=CC2=C(C=C1)N=C(N2)C(F)(F)F
InChI
InChI=1S/C9H7F3N2/c1-5-2-3-6-7(4-5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKey
OLLDPPSRICPSTA-UHFFFAOYSA-N
Compound name
6-methyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

38
Patents

200.05614 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.063416 137.1
[M+Na]+ 223.045358 149.2
[M-H]- 199.048864 134.9
[M+NH4]+ 218.089963 156.5
[M+K]+ 239.019298 144.3
[M+H-H2O]+ 183.053400 128.6
[M+HCOO]- 245.054341 154.9
[M+CH3COO]- 259.069991 181.4
[M+Na-2H]- 221.030806 143.9
[M]+ 200.05559142 134.0
[M]- 200.05668858 134.0
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