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]+ 147.00682 124.8
[M+Na]+ 168.98876 134.9
[M-H]- 144.99226 123.1
[M+NH4]+ 164.03336 143.4
[M+K]+ 184.96270 131.6
[M+H-H2O]+ 128.99680 118.0
[M+HCOO]- 190.99774 141.7
[M+CH3COO]- 205.01339 170.2
[M+Na-2H]- 166.97421 130.0
[M]+ 145.99899 123.1
[M]- 146.00009 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.