CID 20387

4371-31-7

Structural Information

Molecular Formula
C12H10O4
SMILES
C1=CC(=C(C=C1O)O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C12H10O4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6,13-16H
InChIKey
CFGDTWRKBRQUFB-UHFFFAOYSA-N
Compound name
4-(2,4-dihydroxyphenyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

745
Patents

218.0579 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.065176 144.4
[M+Na]+ 241.047118 153.6
[M-H]- 217.050624 147.2
[M+NH4]+ 236.091723 160.6
[M+K]+ 257.021058 149.2
[M+H-H2O]+ 201.055160 138.7
[M+HCOO]- 263.056101 164.3
[M+CH3COO]- 277.071751 179.4
[M+Na-2H]- 239.032566 148.9
[M]+ 218.05735142 142.8
[M]- 218.05844858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe