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
1
Annotation Hits

5
References

96
Patents

267.91287 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.92015 155.0
[M+Na]+ 290.90209 170.2
[M+NH4]+ 285.94669 163.5
[M+K]+ 306.87603 163.3
[M-H]- 266.90559 155.1
[M+Na-2H]- 288.88754 161.1
[M]+ 267.91232 158.3
[M]- 267.91342 158.3
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