CID 1514063

95728-51-1

Structural Information

Molecular Formula
C3H4ClN3
SMILES
C1=NNC(=N1)CCl
InChI
InChI=1S/C3H4ClN3/c4-1-3-5-2-6-7-3/h2H,1H2,(H,5,6,7)
InChIKey
GLAZMGQANOHRCR-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

117.00938 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

patents stripe