CID 45084268

54671-66-8

Structural Information

Molecular Formula
C3H3ClN4O
SMILES
C1(=NNC(=N1)Cl)C(=O)N
InChI
InChI=1S/C3H3ClN4O/c4-3-6-2(1(5)9)7-8-3/h(H2,5,9)(H,6,7,8)
InChIKey
MOSLIRLHACAEFP-UHFFFAOYSA-N
Compound name
5-chloro-1H-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.99954 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.006816 124.8
[M+Na]+ 168.988758 134.9
[M-H]- 144.992264 123.1
[M+NH4]+ 164.033363 143.4
[M+K]+ 184.962698 131.6
[M+H-H2O]+ 128.996800 118.0
[M+HCOO]- 190.997741 141.7
[M+CH3COO]- 205.013391 170.2
[M+Na-2H]- 166.974206 130.0
[M]+ 145.99899142 123.1
[M]- 146.00008858 123.1
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.