CID 5213713

2-acetamido-3,7-dinitro-9-fluorenone

Structural Information

Molecular Formula
C15H9N3O6
SMILES
CC(=O)NC1=C(C=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=C1)[N+](=O)[O-]
InChI
InChI=1S/C15H9N3O6/c1-7(19)16-13-5-12-10(6-14(13)18(23)24)9-3-2-8(17(21)22)4-11(9)15(12)20/h2-6H,1H3,(H,16,19)
InChIKey
AAGDPOKIFBYAMI-UHFFFAOYSA-N
Compound name
N-(3,7-dinitro-9-oxofluoren-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.04913 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.05641 169.1
[M+Na]+ 350.03835 175.0
[M-H]- 326.04185 174.9
[M+NH4]+ 345.08295 183.9
[M+K]+ 366.01229 164.1
[M+H-H2O]+ 310.04639 171.1
[M+HCOO]- 372.04733 193.1
[M+CH3COO]- 386.06298 200.7
[M+Na-2H]- 348.02380 177.3
[M]+ 327.04858 167.9
[M]- 327.04968 167.9
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.