CID 11183772

Benzyl phenyl carbonate

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)COC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C14H12O3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
SNGLYCMNDNOLOF-UHFFFAOYSA-N
Compound name
benzyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

228.07864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 150.2
[M+Na]+ 251.06786 164.6
[M+NH4]+ 246.11246 158.8
[M+K]+ 267.04180 157.0
[M-H]- 227.07136 154.4
[M+Na-2H]- 249.05331 160.2
[M]+ 228.07809 153.5
[M]- 228.07919 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

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