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

295
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 145.6
[M+Na]+ 239.06786 154.0
[M-H]- 215.07136 149.1
[M+NH4]+ 234.11246 162.4
[M+K]+ 255.04180 149.5
[M+H-H2O]+ 199.07590 139.4
[M+HCOO]- 261.07684 166.5
[M+CH3COO]- 275.09249 181.2
[M+Na-2H]- 237.05331 150.7
[M]+ 216.07809 144.3
[M]- 216.07919 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