CID 259370

2-acetamido-3,7-dinitrofluorene

Structural Information

Molecular Formula
C15H11N3O5
SMILES
CC(=O)NC1=C(C=C2C(=C1)CC3=C2C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C15H11N3O5/c1-8(19)16-14-6-10-4-9-5-11(17(20)21)2-3-12(9)13(10)7-15(14)18(22)23/h2-3,5-7H,4H2,1H3,(H,16,19)
InChIKey
HEIMRNMDKUVGDM-UHFFFAOYSA-N
Compound name
N-(3,7-dinitro-9H-fluoren-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0699 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07718 167.0
[M+Na]+ 336.05912 172.2
[M-H]- 312.06262 172.5
[M+NH4]+ 331.10372 182.4
[M+K]+ 352.03306 161.2
[M+H-H2O]+ 296.06716 169.0
[M+HCOO]- 358.06810 190.8
[M+CH3COO]- 372.08375 198.5
[M+Na-2H]- 334.04457 175.4
[M]+ 313.06935 164.9
[M]- 313.07045 164.9
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.