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

literature stripe

Patent stripe

patents stripe