CID 3373418

2-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxin-2-ol

Structural Information

Molecular Formula
C14H11NO5
SMILES
C1C(OC2=CC=CC=C2O1)(C3=CC(=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C14H11NO5/c16-14(10-4-3-5-11(8-10)15(17)18)9-19-12-6-1-2-7-13(12)20-14/h1-8,16H,9H2
InChIKey
QLENPVPCJPGPLZ-UHFFFAOYSA-N
Compound name
3-(3-nitrophenyl)-2H-1,4-benzodioxin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

273.06372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07100 156.8
[M+Na]+ 296.05294 171.9
[M+NH4]+ 291.09754 166.5
[M+K]+ 312.02688 166.7
[M-H]- 272.05644 164.8
[M+Na-2H]- 294.03839 165.1
[M]+ 273.06317 161.4
[M]- 273.06427 161.4
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

No patent data available for this compound.