CID 178244295

N-chloro-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C2H3ClN4
SMILES
C1=NNC(=N1)NCl
InChI
InChI=1S/C2H3ClN4/c3-6-2-4-1-5-7-2/h1H,(H2,4,5,6,7)
InChIKey
TZRWTCDSNODXPL-UHFFFAOYSA-N
Compound name
N-chloro-1H-1,2,4-triazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

118.00462 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.011896 117.6
[M+Na]+ 140.993838 127.2
[M-H]- 116.997344 115.9
[M+NH4]+ 136.038443 137.4
[M+K]+ 156.967778 124.2
[M+H-H2O]+ 101.001880 110.5
[M+HCOO]- 163.002821 135.9
[M+CH3COO]- 177.018471 164.7
[M+Na-2H]- 138.979286 126.3
[M]+ 118.00407142 116.0
[M]- 118.00516858 116.0
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

No patent data available for this compound.