CID 1934474

93519-67-6

Structural Information

Molecular Formula
C18H14N2O7
SMILES
CCCCOC(=O)C1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O7/c1-2-3-6-27-18(22)15-9-11(20(25)26)8-14-16(15)12-5-4-10(19(23)24)7-13(12)17(14)21/h4-5,7-9H,2-3,6H2,1H3
InChIKey
UCNQZDQOMVVMPB-UHFFFAOYSA-N
Compound name
butyl 2,7-dinitro-9-oxofluorene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

370.0801 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08738 184.5
[M+Na]+ 393.06932 196.9
[M+NH4]+ 388.11392 190.3
[M+K]+ 409.04326 197.9
[M-H]- 369.07282 187.8
[M+Na-2H]- 391.05477 186.2
[M]+ 370.07955 186.7
[M]- 370.08065 186.7
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

patents stripe