CID 84649590

1,3-dihydro-2-benzofuran-5,6-diol

Structural Information

Molecular Formula
C8H8O3
SMILES
C1C2=CC(=C(C=C2CO1)O)O
InChI
InChI=1S/C8H8O3/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-2,9-10H,3-4H2
InChIKey
DDSAPKDGZIVAEH-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzofuran-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.04735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 126.3
[M+Na]+ 175.03657 135.5
[M-H]- 151.04007 129.5
[M+NH4]+ 170.08117 148.1
[M+K]+ 191.01051 134.1
[M+H-H2O]+ 135.04461 122.2
[M+HCOO]- 197.04555 147.2
[M+CH3COO]- 211.06120 169.2
[M+Na-2H]- 173.02202 133.6
[M]+ 152.04680 126.1
[M]- 152.04790 126.1
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

No patent data available for this compound.