CID 224129

9-acetoxy-2-nitrofluorene

Structural Information

Molecular Formula
C15H11NO4
SMILES
CC(=O)OC1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H11NO4/c1-9(17)20-15-13-5-3-2-4-11(13)12-7-6-10(16(18)19)8-14(12)15/h2-8,15H,1H3
InChIKey
VHOLNJWMRGLXCC-UHFFFAOYSA-N
Compound name
(2-nitro-9H-fluoren-9-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.076096 158.0
[M+Na]+ 292.058038 165.9
[M-H]- 268.061544 163.9
[M+NH4]+ 287.102643 177.3
[M+K]+ 308.031978 158.8
[M+H-H2O]+ 252.066080 156.3
[M+HCOO]- 314.067021 181.3
[M+CH3COO]- 328.082671 192.6
[M+Na-2H]- 290.043486 164.7
[M]+ 269.06827142 159.5
[M]- 269.06936858 159.5
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

No patent data available for this compound.