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

73
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 118.2
[M+Na]+ 139.99860 128.3
[M-H]- 116.00210 116.3
[M+NH4]+ 135.04320 138.4
[M+K]+ 155.97254 125.2
[M+H-H2O]+ 100.00664 111.3
[M+HCOO]- 162.00758 135.1
[M+CH3COO]- 176.02323 163.0
[M+Na-2H]- 137.98405 125.9
[M]+ 117.00883 117.7
[M]- 117.00993 117.7
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