CID 136138039

1311314-60-9

Structural Information

Molecular Formula
C8H6N4O2S
SMILES
C1=CC=C2C(=C1)N3C(=NC=N3)NS2(=O)=O
InChI
InChI=1S/C8H6N4O2S/c13-15(14)7-4-2-1-3-6(7)12-8(11-15)9-5-10-12/h1-5H,(H,9,10,11)
InChIKey
KVUKFMLHDLSLSM-UHFFFAOYSA-N
Compound name
4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02115 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02843 144.6
[M+Na]+ 245.01037 157.9
[M+NH4]+ 240.05497 153.5
[M+K]+ 260.98431 150.1
[M-H]- 221.01387 144.1
[M+Na-2H]- 242.99582 150.4
[M]+ 222.02060 146.8
[M]- 222.02170 146.8
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.