CID 2779577

4-chloro-1,3-dihydro-6-(trifluoromethyl)-2h-benzimidazole-2-thione

Structural Information

Molecular Formula
C8H4ClF3N2S
SMILES
C1=C(C=C(C2=C1NC(=S)N2)Cl)C(F)(F)F
InChI
InChI=1S/C8H4ClF3N2S/c9-4-1-3(8(10,11)12)2-5-6(4)14-7(15)13-5/h1-2H,(H2,13,14,15)
InChIKey
HPLKCIAVCNSXLZ-UHFFFAOYSA-N
Compound name
4-chloro-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

251.97359 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98087 143.2
[M+Na]+ 274.96281 157.3
[M-H]- 250.96631 140.1
[M+NH4]+ 270.00741 161.6
[M+K]+ 290.93675 149.0
[M+H-H2O]+ 234.97085 136.4
[M+HCOO]- 296.97179 150.3
[M+CH3COO]- 310.98744 155.2
[M+Na-2H]- 272.94826 145.8
[M]+ 251.97304 142.1
[M]- 251.97414 142.1
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