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
2
Annotation Hits

0
References

133
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 183.0
[M+Na]+ 387.08392 189.7
[M-H]- 363.08742 190.6
[M+NH4]+ 382.12852 193.4
[M+K]+ 403.05786 186.3
[M+H-H2O]+ 347.09196 173.7
[M+HCOO]- 409.09290 202.6
[M+CH3COO]- 423.10855 210.7
[M+Na-2H]- 385.06937 183.8
[M]+ 364.09415 185.3
[M]- 364.09525 185.3
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