CID 60623

114436-08-7

Structural Information

Molecular Formula
C10H11ClN2O3S2
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N2CCNC2=O
InChI
InChI=1S/C10H11ClN2O3S2/c1-6-4-9(8(17)5-7(6)11)18(15,16)13-3-2-12-10(13)14/h4-5,17H,2-3H2,1H3,(H,12,14)
InChIKey
WPRUXJXJTCRTFR-UHFFFAOYSA-N
Compound name
1-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.98996 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99724 164.6
[M+Na]+ 328.97918 175.5
[M-H]- 304.98268 168.3
[M+NH4]+ 324.02378 180.1
[M+K]+ 344.95312 168.9
[M+H-H2O]+ 288.98722 159.9
[M+HCOO]- 350.98816 168.7
[M+CH3COO]- 365.00381 194.4
[M+Na-2H]- 326.96463 162.7
[M]+ 305.98941 167.6
[M]- 305.99051 167.6
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.