CID 17815320

Nonanoyl benzenesulfonoperoxoate

Structural Information

Molecular Formula
C15H22O5S
SMILES
CCCCCCCCC(=O)OOS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C15H22O5S/c1-2-3-4-5-6-10-13-15(16)19-20-21(17,18)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey
VSJAMWDKZCYCKN-UHFFFAOYSA-N
Compound name
benzenesulfonyl nonaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

513
Patents

314.1188 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12608 172.9
[M+Na]+ 337.10802 182.0
[M+NH4]+ 332.15262 178.3
[M+K]+ 353.08196 174.9
[M-H]- 313.11152 172.0
[M+Na-2H]- 335.09347 176.3
[M]+ 314.11825 174.2
[M]- 314.11935 174.2
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

patents stripe