CID 117391

6-nitrofluorescein

Structural Information

Molecular Formula
C20H11NO7
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
InChI
InChI=1S/C20H11NO7/c22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)20(14)16-7-10(21(25)26)1-4-13(16)19(24)28-20/h1-9,22-23H
InChIKey
GYWGQAIDMYGOLU-UHFFFAOYSA-N
Compound name
3',6'-dihydroxy-5-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
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

literature stripe

Patent stripe

patents stripe