CID 120860

965-81-1

Structural Information

Molecular Formula
C14H19ClN2O2S2
SMILES
CSC(=NC1CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H19ClN2O2S2/c1-20-14(16-12-5-3-2-4-6-12)17-21(18,19)13-9-7-11(15)8-10-13/h7-10,12H,2-6H2,1H3,(H,16,17)
InChIKey
SYCHHBSUQMFRCW-UHFFFAOYSA-N
Compound name
methyl N-(4-chlorophenyl)sulfonyl-N'-cyclohexylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.05765 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06493 175.8
[M+Na]+ 369.04687 180.5
[M-H]- 345.05037 182.2
[M+NH4]+ 364.09147 190.3
[M+K]+ 385.02081 174.2
[M+H-H2O]+ 329.05491 169.3
[M+HCOO]- 391.05585 182.5
[M+CH3COO]- 405.07150 209.2
[M+Na-2H]- 367.03232 177.0
[M]+ 346.05710 176.0
[M]- 346.05820 176.0
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.