CID 16473

Clorexolone

Structural Information

Molecular Formula
C14H17ClN2O3S
SMILES
C1CCC(CC1)N2CC3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl
InChI
InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)
InChIKey
VPMWFZKOWULPGT-UHFFFAOYSA-N
Compound name
6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

2286
Patents

328.06485 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07213 173.9
[M+Na]+ 351.05407 182.2
[M-H]- 327.05757 179.6
[M+NH4]+ 346.09867 190.4
[M+K]+ 367.02801 176.4
[M+H-H2O]+ 311.06211 168.4
[M+HCOO]- 373.06305 182.1
[M+CH3COO]- 387.07870 204.4
[M+Na-2H]- 349.03952 173.5
[M]+ 328.06430 173.7
[M]- 328.06540 173.7
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.