CID 3056972

Sulfilimine, s,s-dibutyl-n-(phenylsulfonyl)-

Structural Information

Molecular Formula
C14H23NO2S2
SMILES
CCCCS(=NS(=O)(=O)C1=CC=CC=C1)CCCC
InChI
InChI=1S/C14H23NO2S2/c1-3-5-12-18(13-6-4-2)15-19(16,17)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKey
YTJSZLXUGBQHCV-UHFFFAOYSA-N
Compound name
N-(dibutyl-lambda4-sulfanylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11703 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12431 169.3
[M+Na]+ 324.10625 174.9
[M-H]- 300.10975 173.0
[M+NH4]+ 319.15085 185.3
[M+K]+ 340.08019 169.8
[M+H-H2O]+ 284.11429 161.9
[M+HCOO]- 346.11523 181.9
[M+CH3COO]- 360.13088 204.1
[M+Na-2H]- 322.09170 170.1
[M]+ 301.11648 174.3
[M]- 301.11758 174.3
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.