CID 169852

Diphthaloyl peroxide

Structural Information

Molecular Formula
C16H10O8
SMILES
C1=CC=C(C(=C1)C(=O)O)C(=O)OOC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H10O8/c17-13(18)9-5-1-3-7-11(9)15(21)23-24-16(22)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKey
DEQYKFQEQDSGBB-UHFFFAOYSA-N
Compound name
2-(2-carboxybenzoyl)peroxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

330.03757 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04485 169.2
[M+Na]+ 353.02679 179.2
[M+NH4]+ 348.07139 172.5
[M+K]+ 369.00073 177.5
[M-H]- 329.03029 168.4
[M+Na-2H]- 351.01224 173.4
[M]+ 330.03702 169.8
[M]- 330.03812 169.8
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