CID 3623732

2-acetamido-3-nitro-9-fluorenone

Structural Information

Molecular Formula
C15H10N2O4
SMILES
CC(=O)NC1=C(C=C2C3=CC=CC=C3C(=O)C2=C1)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)
InChIKey
NKZAKQSPBYLXCN-UHFFFAOYSA-N
Compound name
N-(3-nitro-9-oxofluoren-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.06406 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07134 158.8
[M+Na]+ 305.05328 166.9
[M-H]- 281.05678 165.0
[M+NH4]+ 300.09788 177.4
[M+K]+ 321.02722 159.3
[M+H-H2O]+ 265.06132 157.1
[M+HCOO]- 327.06226 183.3
[M+CH3COO]- 341.07791 197.7
[M+Na-2H]- 303.03873 165.8
[M]+ 282.06351 159.3
[M]- 282.06461 159.3
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.