CID 29565

2-acetoxy-7-nitrofluorene

Structural Information

Molecular Formula
C15H11NO4
SMILES
CC(=O)OC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H11NO4/c1-9(17)20-13-3-5-15-11(8-13)6-10-7-12(16(18)19)2-4-14(10)15/h2-5,7-8H,6H2,1H3
InChIKey
RBLZCCSHIDZNII-UHFFFAOYSA-N
Compound name
(7-nitro-9H-fluoren-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.06882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 156.3
[M+Na]+ 292.05804 170.2
[M+NH4]+ 287.10264 165.1
[M+K]+ 308.03198 167.9
[M-H]- 268.06154 160.1
[M+Na-2H]- 290.04349 161.4
[M]+ 269.06827 159.2
[M]- 269.06937 159.2
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

No patent data available for this compound.