CID 88835

1,3-dioxol-2-one, 4,5-diphenyl-

Structural Information

Molecular Formula
C15H10O3
SMILES
C1=CC=C(C=C1)C2=C(OC(=O)O2)C3=CC=CC=C3
InChI
InChI=1S/C15H10O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H
InChIKey
SROHGOJDCAODGI-UHFFFAOYSA-N
Compound name
4,5-diphenyl-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1473
Patents

238.06299 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07027 148.9
[M+Na]+ 261.05221 158.8
[M-H]- 237.05571 161.0
[M+NH4]+ 256.09681 165.5
[M+K]+ 277.02615 157.4
[M+H-H2O]+ 221.06025 142.1
[M+HCOO]- 283.06119 174.1
[M+CH3COO]- 297.07684 163.7
[M+Na-2H]- 259.03766 156.2
[M]+ 238.06244 152.2
[M]- 238.06354 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe