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

602
Patents

232.07356 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.080836 149.0
[M+Na]+ 255.062778 157.7
[M-H]- 231.066284 151.5
[M+NH4]+ 250.107383 164.6
[M+K]+ 271.036718 153.1
[M+H-H2O]+ 215.070820 143.0
[M+HCOO]- 277.071761 168.5
[M+CH3COO]- 291.087411 182.4
[M+Na-2H]- 253.048226 152.9
[M]+ 232.07301142 147.7
[M]- 232.07410858 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