CID 182886

2,2',3-trihydroxydiphenyl ether

Structural Information

Molecular Formula
C12H10O4
SMILES
C1=CC=C(C(=C1)O)OC2=CC=CC(=C2O)O
InChI
InChI=1S/C12H10O4/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15/h1-7,13-15H
InChIKey
XEAZDMSYJLCYDK-UHFFFAOYSA-N
Compound name
3-(2-hydroxyphenoxy)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

16
Patents

218.0579 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 144.0
[M+Na]+ 241.04712 152.7
[M-H]- 217.05062 147.7
[M+NH4]+ 236.09172 160.6
[M+K]+ 257.02106 149.0
[M+H-H2O]+ 201.05516 137.7
[M+HCOO]- 263.05610 165.4
[M+CH3COO]- 277.07175 180.4
[M+Na-2H]- 239.03257 149.7
[M]+ 218.05735 143.8
[M]- 218.05845 143.8
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

No patent data available for this compound.