CID 552032

1,3-bis-t-butylperoxy-phthalan

Structural Information

Molecular Formula
C16H24O5
SMILES
CC(C)(C)OOC1C2=CC=CC=C2C(O1)OOC(C)(C)C
InChI
InChI=1S/C16H24O5/c1-15(2,3)20-18-13-11-9-7-8-10-12(11)14(17-13)19-21-16(4,5)6/h7-10,13-14H,1-6H3
InChIKey
RQMZGGUOZFASJD-UHFFFAOYSA-N
Compound name
1,3-bis(tert-butylperoxy)-1,3-dihydro-2-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.16238 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.169656 169.2
[M+Na]+ 319.151598 176.3
[M-H]- 295.155104 174.4
[M+NH4]+ 314.196203 186.7
[M+K]+ 335.125538 177.2
[M+H-H2O]+ 279.159640 164.4
[M+HCOO]- 341.160581 187.6
[M+CH3COO]- 355.176231 202.3
[M+Na-2H]- 317.137046 175.6
[M]+ 296.16183142 177.3
[M]- 296.16292858 177.3
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.