CID 54125784

4,5-dichloro-1h-1,2,3-triazole

Structural Information

Molecular Formula
C2HCl2N3
SMILES
C1(=NNN=C1Cl)Cl
InChI
InChI=1S/C2HCl2N3/c3-1-2(4)6-7-5-1/h(H,5,6,7)
InChIKey
NQWAHBISTGFVQI-UHFFFAOYSA-N
Compound name
4,5-dichloro-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

136.95476 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.96204 119.1
[M+Na]+ 159.94398 132.7
[M+NH4]+ 154.98858 127.4
[M+K]+ 175.91792 128.2
[M-H]- 135.94748 118.5
[M+Na-2H]- 157.92943 125.6
[M]+ 136.95421 121.2
[M]- 136.95531 121.2
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