CID 14121594

2,3,4-trihydroxydiphenylmethane

Structural Information

Molecular Formula
C13H12O3
SMILES
C1=CC=C(C=C1)CC2=C(C(=C(C=C2)O)O)O
InChI
InChI=1S/C13H12O3/c14-11-7-6-10(12(15)13(11)16)8-9-4-2-1-3-5-9/h1-7,14-16H,8H2
InChIKey
UJWRVYWLRMVCIR-UHFFFAOYSA-N
Compound name
4-benzylbenzene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

216.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 146.7
[M+Na]+ 239.06786 161.0
[M+NH4]+ 234.11246 154.8
[M+K]+ 255.04180 154.5
[M-H]- 215.07136 150.0
[M+Na-2H]- 237.05331 154.9
[M]+ 216.07809 149.7
[M]- 216.07919 149.7
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