CID 20331231

2-benzyl-4-(chloromethyl)-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C11H11ClN2
SMILES
C1=CC=C(C=C1)CC2=NC=C(N2)CCl
InChI
InChI=1S/C11H11ClN2/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)
InChIKey
PBNNXBDVYVMWFW-UHFFFAOYSA-N
Compound name
2-benzyl-5-(chloromethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.06108 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.068356 143.5
[M+Na]+ 229.050298 152.6
[M-H]- 205.053804 145.9
[M+NH4]+ 224.094903 161.6
[M+K]+ 245.024238 146.6
[M+H-H2O]+ 189.058340 135.8
[M+HCOO]- 251.059281 160.7
[M+CH3COO]- 265.074931 155.9
[M+Na-2H]- 227.035746 148.7
[M]+ 206.06053142 143.6
[M]- 206.06162858 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

patents stripe