CID 197933

Benzimidazole, 6-chloro-5-methyl-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H6ClF3N2
SMILES
CC1=CC2=C(C=C1Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C9H6ClF3N2/c1-4-2-6-7(3-5(4)10)15-8(14-6)9(11,12)13/h2-3H,1H3,(H,14,15)
InChIKey
SOBDKTOQKNSWOS-UHFFFAOYSA-N
Compound name
5-chloro-6-methyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.01717 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.02445 142.7
[M+Na]+ 257.00639 156.4
[M-H]- 233.00989 140.6
[M+NH4]+ 252.05099 161.8
[M+K]+ 272.98033 149.7
[M+H-H2O]+ 217.01443 134.7
[M+HCOO]- 279.01537 155.8
[M+CH3COO]- 293.03102 186.4
[M+Na-2H]- 254.99184 148.3
[M]+ 234.01662 142.0
[M]- 234.01772 142.0
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