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: 288
Patents: 280.99402 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.001296	151.7
[M+Na]+	303.983238	161.4
[M-H]-	279.986744	148.5
[M+NH4]+	299.027843	166.4
[M+K]+	319.957178	154.8
[M+H-H2O]+	263.991280	146.3
[M+HCOO]-	325.992221	156.6
[M+CH3COO]-	340.007871	188.8
[M+Na-2H]-	301.968686	157.1
[M]+	280.99347142	148.8
[M]-	280.99456858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe