CID 428318

6429-10-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

130.02977 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03705 122.8
[M+Na]+ 153.01899 135.3
[M+NH4]+ 148.06359 131.5
[M+K]+ 168.99293 130.3
[M-H]- 129.02249 123.1
[M+Na-2H]- 151.00444 129.2
[M]+ 130.02922 124.7
[M]- 130.03032 124.7
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