CID 16767313

915924-14-0

Structural Information

Molecular Formula
C9H8Cl2N2
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)CCCl
InChI
InChI=1S/C9H8Cl2N2/c10-4-3-9-12-7-2-1-6(11)5-8(7)13-9/h1-2,5H,3-4H2,(H,12,13)
InChIKey
UOJBPUXYGTUGHS-UHFFFAOYSA-N
Compound name
6-chloro-2-(2-chloroethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.00645 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.013726 141.1
[M+Na]+ 236.995668 153.4
[M-H]- 212.999174 141.3
[M+NH4]+ 232.040273 160.9
[M+K]+ 252.969608 146.4
[M+H-H2O]+ 197.003710 135.2
[M+HCOO]- 259.004651 153.6
[M+CH3COO]- 273.020301 154.1
[M+Na-2H]- 234.981116 147.4
[M]+ 214.00590142 144.5
[M]- 214.00699858 144.5
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

No patent data available for this compound.