CID 18678769

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

Structural Information

Molecular Formula
C3H4ClN3
SMILES
C1=NNN=C1CCl
InChI
InChI=1S/C3H4ClN3/c4-1-3-2-5-7-6-3/h2H,1H2,(H,5,6,7)
InChIKey
BJGPDVPEEFEDIA-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

117.00938 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.01666 117.9
[M+Na]+ 139.99860 130.6
[M+NH4]+ 135.04320 126.1
[M+K]+ 155.97254 126.4
[M-H]- 116.00210 117.4
[M+Na-2H]- 137.98405 124.5
[M]+ 117.00883 119.6
[M]- 117.00993 119.6
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