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

28
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 179.6
[M+Na]+ 400.04278 188.3
[M-H]- 376.04628 187.8
[M+NH4]+ 395.08738 193.4
[M+K]+ 416.01672 181.9
[M+H-H2O]+ 360.05082 176.5
[M+HCOO]- 422.05176 195.2
[M+CH3COO]- 436.06741 209.1
[M+Na-2H]- 398.02823 189.2
[M]+ 377.05301 181.2
[M]- 377.05411 181.2
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