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
8
Annotation Hits

1905
References

20459
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 171.2
[M+Na]+ 361.00204 182.7
[M+NH4]+ 356.04664 179.1
[M+K]+ 376.97598 175.8
[M-H]- 337.00554 172.4
[M+Na-2H]- 358.98749 177.4
[M]+ 338.01227 173.9
[M]- 338.01337 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe