CID 3084543

P-methoxybenzyl phenyl carbonate

Structural Information

Molecular Formula
C15H14O4
SMILES
COC1=CC=C(C=C1)COC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C15H14O4/c1-17-13-9-7-12(8-10-13)11-18-15(16)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey
RMDRWXNFPZIFDS-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

258.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.8
[M+Na]+ 281.07842 163.8
[M-H]- 257.08192 163.5
[M+NH4]+ 276.12302 173.3
[M+K]+ 297.05236 161.9
[M+H-H2O]+ 241.08646 148.9
[M+HCOO]- 303.08740 180.9
[M+CH3COO]- 317.10305 193.0
[M+Na-2H]- 279.06387 162.4
[M]+ 258.08865 160.8
[M]- 258.08975 160.8
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