CID 70876165

Deschloro-fluoro-hydrochlorothiazide

Structural Information

Molecular Formula
C7H8FN3O4S2
SMILES
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)F
InChI
InChI=1S/C7H8FN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChIKey
QBFRPGRSZWPABV-UHFFFAOYSA-N
Compound name
6-fluoro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

430
Patents

280.99402 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.00130 151.7
[M+Na]+ 303.98324 161.4
[M-H]- 279.98674 148.5
[M+NH4]+ 299.02784 166.4
[M+K]+ 319.95718 154.8
[M+H-H2O]+ 263.99128 146.3
[M+HCOO]- 325.99222 156.6
[M+CH3COO]- 340.00787 188.8
[M+Na-2H]- 301.96869 157.1
[M]+ 280.99347 148.8
[M]- 280.99457 148.8
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

patents stripe