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

17
Patents

214.00645 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01373 141.0
[M+Na]+ 236.99567 154.6
[M-H]- 212.99917 142.9
[M+NH4]+ 232.04027 161.8
[M+K]+ 252.96961 148.5
[M+H-H2O]+ 197.00371 135.1
[M+HCOO]- 259.00465 154.9
[M+CH3COO]- 273.02030 155.0
[M+Na-2H]- 234.98112 146.9
[M]+ 214.00590 146.6
[M]- 214.00700 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