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]+ 211.02843 142.4
[M+Na]+ 233.01037 153.6
[M-H]- 209.01387 144.9
[M+NH4]+ 228.05497 157.9
[M+K]+ 248.98431 150.4
[M+H-H2O]+ 193.01841 134.3
[M+HCOO]- 255.01935 158.9
[M+CH3COO]- 269.03500 178.9
[M+Na-2H]- 230.99582 148.3
[M]+ 210.02060 144.9
[M]- 210.02170 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.