CID 171687213

Mfcd35244455

Structural Information

Molecular Formula
C7H6N4O2S
SMILES
C1=CC(=CN=C1)S(=O)(=O)N2C=NC=N2
InChI
InChI=1S/C7H6N4O2S/c12-14(13,11-6-9-5-10-11)7-2-1-3-8-4-7/h1-6H
InChIKey
LBQFWDRVXUJAAR-UHFFFAOYSA-N
Compound name
3-(1,2,4-triazol-1-ylsulfonyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.02115 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.028426 142.4
[M+Na]+ 233.010368 153.6
[M-H]- 209.013874 144.9
[M+NH4]+ 228.054973 157.9
[M+K]+ 248.984308 150.4
[M+H-H2O]+ 193.018410 134.3
[M+HCOO]- 255.019351 158.9
[M+CH3COO]- 269.035001 178.9
[M+Na-2H]- 230.995816 148.3
[M]+ 210.02060142 144.9
[M]- 210.02169858 144.9
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.