CID 119031210

2-(1-chloroethyl)-1-phenyl-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C11H11ClN2
SMILES
CC(C1=NC=CN1C2=CC=CC=C2)Cl
InChI
InChI=1S/C11H11ClN2/c1-9(12)11-13-7-8-14(11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
VAXNEPSYIIJPQX-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-1-phenylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06108 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.068356 143.2
[M+Na]+ 229.050298 152.4
[M-H]- 205.053804 147.2
[M+NH4]+ 224.094903 161.9
[M+K]+ 245.024238 147.8
[M+H-H2O]+ 189.058340 135.3
[M+HCOO]- 251.059281 160.9
[M+CH3COO]- 265.074931 156.3
[M+Na-2H]- 227.035746 147.7
[M]+ 206.06053142 144.7
[M]- 206.06162858 144.7
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.