CID 77134

3584-66-5

Structural Information

Molecular Formula
C8H4Cl4N2
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H4Cl4N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChIKey
SIZGSKQSWJIWFP-UHFFFAOYSA-N
Compound name
6-chloro-2-(trichloromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

117
Patents

267.91287 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.920146 153.2
[M+Na]+ 290.902088 165.0
[M-H]- 266.905594 150.8
[M+NH4]+ 285.946693 170.0
[M+K]+ 306.876028 158.0
[M+H-H2O]+ 250.910130 147.9
[M+HCOO]- 312.911071 152.8
[M+CH3COO]- 326.926721 163.4
[M+Na-2H]- 288.887536 157.4
[M]+ 267.91232142 154.3
[M]- 267.91341858 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe