CID 197804

Benzimidazole, 5-methyl-4,6,7-trichloro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H4Cl3F3N2
SMILES
CC1=C(C2=C(C(=C1Cl)Cl)N=C(N2)C(F)(F)F)Cl
InChI
InChI=1S/C9H4Cl3F3N2/c1-2-3(10)5(12)7-6(4(2)11)16-8(17-7)9(13,14)15/h1H3,(H,16,17)
InChIKey
FTDIVRFRWTWDKU-UHFFFAOYSA-N
Compound name
4,5,7-trichloro-6-methyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.9392 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.94648 153.8
[M+Na]+ 324.92842 168.8
[M-H]- 300.93192 150.3
[M+NH4]+ 319.97302 170.8
[M+K]+ 340.90236 160.5
[M+H-H2O]+ 284.93646 146.8
[M+HCOO]- 346.93740 156.1
[M+CH3COO]- 360.95305 198.5
[M+Na-2H]- 322.91387 156.0
[M]+ 301.93865 154.7
[M]- 301.93975 154.7
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