CID 87851

Einecs 242-676-1

Structural Information

Molecular Formula
C13H21NO2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=S(C(C)C)C(C)C
InChI
InChI=1S/C13H21NO2S2/c1-10(2)17(11(3)4)14-18(15,16)13-8-6-12(5)7-9-13/h6-11H,1-5H3
InChIKey
LOROWSYNFCQEIE-UHFFFAOYSA-N
Compound name
N-[di(propan-2-yl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

287.10138 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10866 163.3
[M+Na]+ 310.09060 169.3
[M-H]- 286.09410 167.7
[M+NH4]+ 305.13520 179.9
[M+K]+ 326.06454 165.6
[M+H-H2O]+ 270.09864 156.5
[M+HCOO]- 332.09958 173.9
[M+CH3COO]- 346.11523 204.0
[M+Na-2H]- 308.07605 162.3
[M]+ 287.10083 167.2
[M]- 287.10193 167.2
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.