CID 39869132

5-chloro-2-(chloromethyl)-1-methyl-1h-1,3-benzodiazole hydrochloride

Structural Information

Molecular Formula
C9H8Cl2N2
SMILES
CN1C2=C(C=C(C=C2)Cl)N=C1CCl
InChI
InChI=1S/C9H8Cl2N2/c1-13-8-3-2-6(11)4-7(8)12-9(13)5-10/h2-4H,5H2,1H3
InChIKey
DNIBZLGRWJPYMA-UHFFFAOYSA-N
Compound name
5-chloro-2-(chloromethyl)-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

214.00645 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.013726 141.0
[M+Na]+ 236.995668 154.6
[M-H]- 212.999174 142.9
[M+NH4]+ 232.040273 161.8
[M+K]+ 252.969608 148.5
[M+H-H2O]+ 197.003710 135.1
[M+HCOO]- 259.004651 154.9
[M+CH3COO]- 273.020301 155.0
[M+Na-2H]- 234.981116 146.9
[M]+ 214.00590142 146.6
[M]- 214.00699858 146.6
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