CID 104460

6-nitrofluorescein diacetate

Structural Information

Molecular Formula
C24H15NO9
SMILES
CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC(=C5)[N+](=O)[O-])C(=O)O3
InChI
InChI=1S/C24H15NO9/c1-12(26)31-15-4-7-18-21(10-15)33-22-11-16(32-13(2)27)5-8-19(22)24(18)20-9-14(25(29)30)3-6-17(20)23(28)34-24/h3-11H,1-2H3
InChIKey
VYIGESZPYCCIHE-UHFFFAOYSA-N
Compound name
(6'-acetyloxy-6-nitro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

461.07468 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.08196 201.0
[M+Na]+ 484.06390 214.7
[M+NH4]+ 479.10850 208.1
[M+K]+ 500.03784 212.5
[M-H]- 460.06740 207.2
[M+Na-2H]- 482.04935 203.8
[M]+ 461.07413 204.7
[M]- 461.07523 204.7
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