CID 4482356

82091-12-1

Structural Information

Molecular Formula
C17H14O7
SMILES
COC(=O)C1=CC=CC=C1OC(=O)OC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C17H14O7/c1-21-15(18)11-7-3-5-9-13(11)23-17(20)24-14-10-6-4-8-12(14)16(19)22-2/h3-10H,1-2H3
InChIKey
QAWMIDIJFWHLAQ-UHFFFAOYSA-N
Compound name
methyl 2-(2-methoxycarbonylphenoxy)carbonyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

803
Patents

330.07394 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08122 171.1
[M+Na]+ 353.06316 177.6
[M-H]- 329.06666 178.0
[M+NH4]+ 348.10776 184.3
[M+K]+ 369.03710 177.5
[M+H-H2O]+ 313.07120 162.7
[M+HCOO]- 375.07214 193.5
[M+CH3COO]- 389.08779 205.6
[M+Na-2H]- 351.04861 173.0
[M]+ 330.07339 177.7
[M]- 330.07449 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe