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

36
Patents

206.06108 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.068356 143.1
[M+Na]+ 229.050298 152.7
[M-H]- 205.053804 146.9
[M+NH4]+ 224.094903 161.9
[M+K]+ 245.024238 147.6
[M+H-H2O]+ 189.058340 135.1
[M+HCOO]- 251.059281 161.9
[M+CH3COO]- 265.074931 156.3
[M+Na-2H]- 227.035746 148.8
[M]+ 206.06053142 145.2
[M]- 206.06162858 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