CID 57351224

58853-83-1

Structural Information

Molecular Formula
C14H22O2
SMILES
CCCCCCCCOOC1=CC=CC=C1
InChI
InChI=1S/C14H22O2/c1-2-3-4-5-6-10-13-15-16-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey
HOYQQUOMVQAWQH-UHFFFAOYSA-N
Compound name
octylperoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

222.16199 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.169266 153.6
[M+Na]+ 245.151208 158.8
[M-H]- 221.154714 156.2
[M+NH4]+ 240.195813 171.9
[M+K]+ 261.125148 156.7
[M+H-H2O]+ 205.159250 146.7
[M+HCOO]- 267.160191 177.0
[M+CH3COO]- 281.175841 190.5
[M+Na-2H]- 243.136656 159.1
[M]+ 222.16144142 158.3
[M]- 222.16253858 158.3
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

patents stripe