CID 70883

3-phenyl chlorothiazide

Structural Information

Molecular Formula
C13H10ClN3O4S2
SMILES
C1=CC=C(C=C1)C2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N
InChI
InChI=1S/C13H10ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H2,15,18,19)
InChIKey
PQZSAKDDBHCRCN-UHFFFAOYSA-N
Compound name
6-chloro-1,1-dioxo-3-phenyl-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

370.98013 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.987406 174.8
[M+Na]+ 393.969348 186.2
[M-H]- 369.972854 178.3
[M+NH4]+ 389.013953 187.6
[M+K]+ 409.943288 178.2
[M+H-H2O]+ 353.977390 169.3
[M+HCOO]- 415.978331 179.1
[M+CH3COO]- 429.993981 184.6
[M+Na-2H]- 391.954796 181.2
[M]+ 370.97958142 178.0
[M]- 370.98067858 178.0
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