CID 177063

19261-03-1

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

503
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