CID 13542891

Bis(4-hydroxyphenyl)methanol

Structural Information

Molecular Formula
C13H12O3
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C13H12O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13-16H
InChIKey
CIDJXBNFIKRPHX-UHFFFAOYSA-N
Compound name
4-[hydroxy-(4-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

216.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 145.9
[M+Na]+ 239.06786 153.1
[M-H]- 215.07136 149.2
[M+NH4]+ 234.11246 162.3
[M+K]+ 255.04180 149.1
[M+H-H2O]+ 199.07590 139.7
[M+HCOO]- 261.07684 165.8
[M+CH3COO]- 275.09249 180.9
[M+Na-2H]- 237.05331 150.5
[M]+ 216.07809 143.6
[M]- 216.07919 143.6
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