CID 18475

Diphenyl oxalate

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C(C=C1)OC(=O)C(=O)OC2=CC=CC=C2
InChI
InChI=1S/C14H10O4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10H
InChIKey
ULOZDEVJRTYKFE-UHFFFAOYSA-N
Compound name
diphenyl oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2083
Patents

242.0579 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 151.7
[M+Na]+ 265.04712 158.2
[M-H]- 241.05062 158.4
[M+NH4]+ 260.09172 168.4
[M+K]+ 281.02106 156.5
[M+H-H2O]+ 225.05516 144.0
[M+HCOO]- 287.05610 175.4
[M+CH3COO]- 301.07175 188.3
[M+Na-2H]- 263.03257 157.3
[M]+ 242.05735 153.5
[M]- 242.05845 153.5
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