CID 198654

Benzimidazole, 4,5,6,7-tetramethyl-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C12H13F3N2
SMILES
CC1=C(C(=C2C(=C1C)NC(=N2)C(F)(F)F)C)C
InChI
InChI=1S/C12H13F3N2/c1-5-6(2)8(4)10-9(7(5)3)16-11(17-10)12(13,14)15/h1-4H3,(H,16,17)
InChIKey
PMRKIYCDKYQZJL-UHFFFAOYSA-N
Compound name
4,5,6,7-tetramethyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10309 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11037 151.3
[M+Na]+ 265.09231 164.8
[M-H]- 241.09581 149.8
[M+NH4]+ 260.13691 169.9
[M+K]+ 281.06625 159.2
[M+H-H2O]+ 225.10035 143.1
[M+HCOO]- 287.10129 167.9
[M+CH3COO]- 301.11694 194.0
[M+Na-2H]- 263.07776 154.3
[M]+ 242.10254 150.4
[M]- 242.10364 150.4
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

No patent data available for this compound.