CID 68268

531-02-2

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

616
Patents

218.0579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 144.4
[M+Na]+ 241.04712 153.6
[M-H]- 217.05062 147.2
[M+NH4]+ 236.09172 160.6
[M+K]+ 257.02106 149.2
[M+H-H2O]+ 201.05516 138.7
[M+HCOO]- 263.05610 164.3
[M+CH3COO]- 277.07175 179.4
[M+Na-2H]- 239.03257 148.9
[M]+ 218.05735 142.8
[M]- 218.05845 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