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]+ 270.07610 158.0
[M+Na]+ 292.05804 165.9
[M-H]- 268.06154 163.9
[M+NH4]+ 287.10264 177.3
[M+K]+ 308.03198 158.8
[M+H-H2O]+ 252.06608 156.3
[M+HCOO]- 314.06702 181.3
[M+CH3COO]- 328.08267 192.6
[M+Na-2H]- 290.04349 164.7
[M]+ 269.06827 159.5
[M]- 269.06937 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.