CID 10992120

119959-84-1

Structural Information

Molecular Formula
C21H16O6
SMILES
CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C21H16O6/c1-13-12-18(26-20(24)14-2-6-16(22)7-3-14)10-11-19(13)27-21(25)15-4-8-17(23)9-5-15/h2-12,22-23H,1H3
InChIKey
GXRSWJXJKSUYHZ-UHFFFAOYSA-N
Compound name
[4-(4-hydroxybenzoyl)oxy-3-methylphenyl] 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

364.0947 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10198 184.2
[M+Na]+ 387.08392 198.6
[M+NH4]+ 382.12852 190.0
[M+K]+ 403.05786 192.8
[M-H]- 363.08742 188.4
[M+Na-2H]- 385.06937 192.6
[M]+ 364.09415 187.4
[M]- 364.09525 187.4
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