CID 8992

Flumethiazide

Structural Information

Molecular Formula
C8H6F3N3O4S2
SMILES
C1=C(C(=CC2=C1NC=NS2(=O)=O)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C8H6F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-3H,(H,13,14)(H2,12,15,16)
InChIKey
RGUQWGXAYZNLMI-UHFFFAOYSA-N
Compound name
1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

21
References

7124
Patents

328.9752 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.982476 161.3
[M+Na]+ 351.964418 172.1
[M-H]- 327.967924 157.2
[M+NH4]+ 347.009023 174.7
[M+K]+ 367.938358 165.7
[M+H-H2O]+ 311.972460 153.8
[M+HCOO]- 373.973401 165.2
[M+CH3COO]- 387.989051 198.7
[M+Na-2H]- 349.949866 167.5
[M]+ 328.97465142 158.9
[M]- 328.97574858 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe