CID 10131028

1-benzyl-5-(chloromethyl)-1h-imidazole

Structural Information

Molecular Formula
C11H11ClN2
SMILES
C1=CC=C(C=C1)CN2C=NC=C2CCl
InChI
InChI=1S/C11H11ClN2/c12-6-11-7-13-9-14(11)8-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2
InChIKey
GQOQUUCIZBMRMZ-UHFFFAOYSA-N
Compound name
1-benzyl-5-(chloromethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

206.06108 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06836 143.1
[M+Na]+ 229.05030 152.7
[M-H]- 205.05380 146.9
[M+NH4]+ 224.09490 161.9
[M+K]+ 245.02424 147.6
[M+H-H2O]+ 189.05834 135.1
[M+HCOO]- 251.05928 161.9
[M+CH3COO]- 265.07493 156.3
[M+Na-2H]- 227.03575 148.8
[M]+ 206.06053 145.2
[M]- 206.06163 145.2
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