CID 62400655

4-(2-chloroethyl)-1h-1,2,3-triazole hydrochloride

Structural Information

Molecular Formula
C4H6ClN3
SMILES
C1=NNN=C1CCCl
InChI
InChI=1S/C4H6ClN3/c5-2-1-4-3-6-8-7-4/h3H,1-2H2,(H,6,7,8)
InChIKey
QQPOBJAXTSMBOJ-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.02502 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.03230 122.7
[M+Na]+ 154.01424 132.4
[M-H]- 130.01774 120.7
[M+NH4]+ 149.05884 142.4
[M+K]+ 169.98818 129.1
[M+H-H2O]+ 114.02228 115.6
[M+HCOO]- 176.02322 139.3
[M+CH3COO]- 190.03887 166.0
[M+Na-2H]- 151.99969 129.9
[M]+ 131.02447 122.6
[M]- 131.02557 122.6
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

No patent data available for this compound.