CID 278387

101949-49-9

Structural Information

Molecular Formula
C16H16O4
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C16H16O4/c1-16(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(9-11)15(19)20/h3-9,17-18H,1-2H3,(H,19,20)
InChIKey
PMMUFDGWDXRPRQ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

165
Patents

272.10486 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.112136 160.8
[M+Na]+ 295.094078 168.1
[M-H]- 271.097584 164.2
[M+NH4]+ 290.138683 175.1
[M+K]+ 311.068018 164.2
[M+H-H2O]+ 255.102120 154.6
[M+HCOO]- 317.103061 178.4
[M+CH3COO]- 331.118711 193.0
[M+Na-2H]- 293.079526 164.1
[M]+ 272.10431142 160.2
[M]- 272.10540858 160.2
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