CID 120662

393-21-5

Structural Information

Molecular Formula
C9H8F3N3O6S2
SMILES
C1=C(C(=CC2=C1NC(NS2(=O)=O)C(=O)O)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C9H8F3N3O6S2/c10-9(11,12)3-1-4-6(2-5(3)22(13,18)19)23(20,21)15-7(14-4)8(16)17/h1-2,7,14-15H,(H,16,17)(H2,13,18,19)
InChIKey
FBNXAROHEIKWIV-UHFFFAOYSA-N
Compound name
1,1-dioxo-7-sulfamoyl-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.98065 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.98793 169.4
[M+Na]+ 397.96987 177.5
[M-H]- 373.97337 161.8
[M+NH4]+ 393.01447 179.0
[M+K]+ 413.94381 171.0
[M+H-H2O]+ 357.97791 162.9
[M+HCOO]- 419.97885 168.0
[M+CH3COO]- 433.99450 204.1
[M+Na-2H]- 395.95532 173.8
[M]+ 374.98010 164.5
[M]- 374.98120 164.5
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.