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

539
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 173.0
[M+Na]+ 337.10802 178.3
[M-H]- 313.11152 175.7
[M+NH4]+ 332.15262 187.7
[M+K]+ 353.08196 175.6
[M+H-H2O]+ 297.11606 165.8
[M+HCOO]- 359.11700 189.4
[M+CH3COO]- 373.13265 201.2
[M+Na-2H]- 335.09347 174.9
[M]+ 314.11825 181.0
[M]- 314.11935 181.0
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

patents stripe