CID 23219041

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

Structural Information

Molecular Formula
C5H7ClN2
SMILES
C1=CN=C(N1)CCCl
InChI
InChI=1S/C5H7ClN2/c6-2-1-5-7-3-4-8-5/h3-4H,1-2H2,(H,7,8)
InChIKey
FHAYLJXXFOEIJC-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

130.02977 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03705 123.3
[M+Na]+ 153.01899 132.6
[M-H]- 129.02249 122.6
[M+NH4]+ 148.06359 144.5
[M+K]+ 168.99293 129.1
[M+H-H2O]+ 113.02703 117.2
[M+HCOO]- 175.02797 141.0
[M+CH3COO]- 189.04362 166.1
[M+Na-2H]- 151.00444 130.1
[M]+ 130.02922 123.1
[M]- 130.03032 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe