CID 2732

Chlorthalidone

Structural Information

Molecular Formula
C14H11ClN2O4S
SMILES
C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O
InChI
InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
InChIKey
JIVPVXMEBJLZRO-UHFFFAOYSA-N
Compound name
2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1914
References

31918
Patents

338.01282 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02010 172.1
[M+Na]+ 361.00204 183.3
[M-H]- 337.00554 176.6
[M+NH4]+ 356.04664 189.0
[M+K]+ 376.97598 176.3
[M+H-H2O]+ 321.01008 167.9
[M+HCOO]- 383.01102 181.9
[M+CH3COO]- 397.02667 200.6
[M+Na-2H]- 358.98749 175.9
[M]+ 338.01227 174.5
[M]- 338.01337 174.5
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

No patent data available for this compound.