CID 21896295

2,3,4,4'-tetrahydroxydiphenylmethane

Structural Information

Molecular Formula
C13H12O4
SMILES
C1=CC(=CC=C1CC2=C(C(=C(C=C2)O)O)O)O
InChI
InChI=1S/C13H12O4/c14-10-4-1-8(2-5-10)7-9-3-6-11(15)13(17)12(9)16/h1-6,14-17H,7H2
InChIKey
NBTCXIZQSZQNKJ-UHFFFAOYSA-N
Compound name
4-[(4-hydroxyphenyl)methyl]benzene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

661
Patents

232.07356 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 149.0
[M+Na]+ 255.06278 157.7
[M-H]- 231.06628 151.5
[M+NH4]+ 250.10738 164.6
[M+K]+ 271.03672 153.1
[M+H-H2O]+ 215.07082 143.0
[M+HCOO]- 277.07176 168.5
[M+CH3COO]- 291.08741 182.4
[M+Na-2H]- 253.04823 152.9
[M]+ 232.07301 147.7
[M]- 232.07411 147.7
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