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

4
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

patents stripe