CID 417201

1-(2-chloroethyl)-3-methylbenzimidazolium chloride

Structural Information

Molecular Formula
C10H12ClN2
SMILES
C[N+]1=CN(C2=CC=CC=C21)CCCl
InChI
InChI=1S/C10H12ClN2/c1-12-8-13(7-6-11)10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3/q+1
InChIKey
VZDXDDATPOCGLH-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-methylbenzimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06891 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07619 140.1
[M+Na]+ 218.05813 151.8
[M-H]- 194.06163 142.6
[M+NH4]+ 213.10273 160.8
[M+K]+ 234.03207 141.6
[M+H-H2O]+ 178.06617 136.3
[M+HCOO]- 240.06711 158.7
[M+CH3COO]- 254.08276 176.6
[M+Na-2H]- 216.04358 149.5
[M]+ 195.06836 143.6
[M]- 195.06946 143.6
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

No patent data available for this compound.