CID 139482

Methyl phenyl carbonate

Structural Information

Molecular Formula
C8H8O3
SMILES
COC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
XTBFPVLHGVYOQH-UHFFFAOYSA-N
Compound name
methyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4706
Patents

152.04735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 128.0
[M+Na]+ 175.03657 136.0
[M-H]- 151.04007 132.0
[M+NH4]+ 170.08117 149.2
[M+K]+ 191.01051 135.9
[M+H-H2O]+ 135.04461 122.4
[M+HCOO]- 197.04555 152.9
[M+CH3COO]- 211.06120 173.0
[M+Na-2H]- 173.02202 135.6
[M]+ 152.04680 130.5
[M]- 152.04790 130.5
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