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

1
Patents

370.98013 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.98741 174.8
[M+Na]+ 393.96935 186.2
[M-H]- 369.97285 178.3
[M+NH4]+ 389.01395 187.6
[M+K]+ 409.94329 178.2
[M+H-H2O]+ 353.97739 169.3
[M+HCOO]- 415.97833 179.1
[M+CH3COO]- 429.99398 184.6
[M+Na-2H]- 391.95480 181.2
[M]+ 370.97958 178.0
[M]- 370.98068 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