CID 10377789

2-(3,4-dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde

Structural Information

Molecular Formula
C14H10O5
SMILES
C1=CC2=C(C=C1C=O)OC(O2)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C14H10O5/c15-7-8-1-4-12-13(5-8)19-14(18-12)9-2-3-10(16)11(17)6-9/h1-7,14,16-17H
InChIKey
GVZIWSSFZNAGTN-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-1,3-benzodioxole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

258.05283 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06011 153.5
[M+Na]+ 281.04205 167.3
[M+NH4]+ 276.08665 161.0
[M+K]+ 297.01599 164.2
[M-H]- 257.04555 158.8
[M+Na-2H]- 279.02750 158.4
[M]+ 258.05228 156.9
[M]- 258.05338 156.9
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