CID 122944

32741-92-7

Structural Information

Molecular Formula
C18H16O6
SMILES
COC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C18H16O6/c1-22-16(19)12-6-4-11(5-7-12)15-10-13(17(20)23-2)8-9-14(15)18(21)24-3/h4-10H,1-3H3
InChIKey
ZLRSGCDCVGSPKI-UHFFFAOYSA-N
Compound name
dimethyl 2-(4-methoxycarbonylphenyl)benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

328.0947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 172.8
[M+Na]+ 351.08392 185.3
[M+NH4]+ 346.12852 178.1
[M+K]+ 367.05786 180.7
[M-H]- 327.08742 174.6
[M+Na-2H]- 349.06937 178.9
[M]+ 328.09415 174.9
[M]- 328.09525 174.9
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