CID 85787

5-nitrofluorescein diacetate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
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 202.4
[M+Na]+ 484.06390 209.0
[M-H]- 460.06740 212.3
[M+NH4]+ 479.10850 213.2
[M+K]+ 500.03784 205.2
[M+H-H2O]+ 444.07194 198.3
[M+HCOO]- 506.07288 217.7
[M+CH3COO]- 520.08853 228.7
[M+Na-2H]- 482.04935 209.1
[M]+ 461.07413 208.1
[M]- 461.07523 208.1
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