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

266
Patents

216.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.085916 145.6
[M+Na]+ 239.067858 154.0
[M-H]- 215.071364 149.1
[M+NH4]+ 234.112463 162.4
[M+K]+ 255.041798 149.5
[M+H-H2O]+ 199.075900 139.4
[M+HCOO]- 261.076841 166.5
[M+CH3COO]- 275.092491 181.2
[M+Na-2H]- 237.053306 150.7
[M]+ 216.07809142 144.3
[M]- 216.07918858 144.3
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