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

189
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 167.6
[M+Na]+ 353.02679 173.3
[M-H]- 329.03029 171.9
[M+NH4]+ 348.07139 179.0
[M+K]+ 369.00073 172.6
[M+H-H2O]+ 313.03483 159.8
[M+HCOO]- 375.03577 186.6
[M+CH3COO]- 389.05142 201.3
[M+Na-2H]- 351.01224 168.1
[M]+ 330.03702 170.4
[M]- 330.03812 170.4
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