CID 74434

6-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)-1h-benzimidazole

Structural Information

Molecular Formula
C11H10ClF3N2
SMILES
CCN1C(=NC2=C1C=C(C(=C2)C(F)(F)F)Cl)C
InChI
InChI=1S/C11H10ClF3N2/c1-3-17-6(2)16-9-4-7(11(13,14)15)8(12)5-10(9)17/h4-5H,3H2,1-2H3
InChIKey
ZINJVKDSCBDJRX-UHFFFAOYSA-N
Compound name
6-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.04846 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05574 152.1
[M+Na]+ 285.03768 166.1
[M-H]- 261.04118 151.3
[M+NH4]+ 280.08228 171.0
[M+K]+ 301.01162 159.9
[M+H-H2O]+ 245.04572 143.6
[M+HCOO]- 307.04666 165.9
[M+CH3COO]- 321.06231 196.1
[M+Na-2H]- 283.02313 156.2
[M]+ 262.04791 154.2
[M]- 262.04901 154.2
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