CID 387403

Nsc681153

Structural Information

Molecular Formula
C10H9ClN2O3S2
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N2C=CNC2=O
InChI
InChI=1S/C10H9ClN2O3S2/c1-6-4-9(8(17)5-7(6)11)18(15,16)13-3-2-12-10(13)14/h2-5,17H,1H3,(H,12,14)
InChIKey
RKBKNWKQODKYCX-UHFFFAOYSA-N
Compound name
3-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-1H-imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.9743 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.98158 162.8
[M+Na]+ 326.96352 175.8
[M-H]- 302.96702 167.4
[M+NH4]+ 322.00812 178.6
[M+K]+ 342.93746 168.7
[M+H-H2O]+ 286.97156 158.0
[M+HCOO]- 348.97250 169.7
[M+CH3COO]- 362.98815 193.8
[M+Na-2H]- 324.94897 162.4
[M]+ 303.97375 168.4
[M]- 303.97485 168.4
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.