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]+ 207.06836 143.2
[M+Na]+ 229.05030 152.4
[M-H]- 205.05380 147.2
[M+NH4]+ 224.09490 161.9
[M+K]+ 245.02424 147.8
[M+H-H2O]+ 189.05834 135.3
[M+HCOO]- 251.05928 160.9
[M+CH3COO]- 265.07493 156.3
[M+Na-2H]- 227.03575 147.7
[M]+ 206.06053 144.7
[M]- 206.06163 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.