CID 76846

3326-35-0

Structural Information

Molecular Formula
C20H11NO7
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI
InChI=1S/C20H11NO7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)20(15)14-4-1-10(21(25)26)7-13(14)19(24)28-20/h1-9,22-23H
InChIKey
UACQOMKZFGNRBL-UHFFFAOYSA-N
Compound name
3',6'-dihydroxy-6-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

377.05356 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.06084 181.7
[M+Na]+ 400.04278 197.1
[M+NH4]+ 395.08738 190.8
[M+K]+ 416.01672 193.7
[M-H]- 376.04628 189.0
[M+Na-2H]- 398.02823 185.9
[M]+ 377.05301 186.1
[M]- 377.05411 186.1
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

patents stripe