CID 18544664

3-[(3-hydroxyphenyl)methyl]phenol

Structural Information

Molecular Formula
C13H12O2
SMILES
C1=CC(=CC(=C1)O)CC2=CC(=CC=C2)O
InChI
InChI=1S/C13H12O2/c14-12-5-1-3-10(8-12)7-11-4-2-6-13(15)9-11/h1-6,8-9,14-15H,7H2
InChIKey
DXADWKPCWTXPOY-UHFFFAOYSA-N
Compound name
3-[(3-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

337
Patents

200.08372 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 143.2
[M+Na]+ 223.07294 158.2
[M+NH4]+ 218.11754 152.3
[M+K]+ 239.04688 150.7
[M-H]- 199.07644 147.5
[M+Na-2H]- 221.05839 152.8
[M]+ 200.08317 146.7
[M]- 200.08427 146.7
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

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