CID 656689

5-hydroxybisphenol a

Structural Information

Molecular Formula
C15H16O3
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C15H16O3/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9,16-18H,1-2H3
InChIKey
YGFAMQHMUSBLBC-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxyphenyl)propan-2-yl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

104
Patents

244.10994 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.117216 154.8
[M+Na]+ 267.099158 162.7
[M-H]- 243.102664 158.3
[M+NH4]+ 262.143763 170.6
[M+K]+ 283.073098 158.4
[M+H-H2O]+ 227.107200 148.9
[M+HCOO]- 289.108141 173.4
[M+CH3COO]- 303.123791 187.6
[M+Na-2H]- 265.084606 159.7
[M]+ 244.10939142 153.8
[M]- 244.11048858 153.8
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