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

17
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 185.7
[M+Na]+ 393.06932 190.9
[M-H]- 369.07282 191.0
[M+NH4]+ 388.11392 199.0
[M+K]+ 409.04326 180.0
[M+H-H2O]+ 353.07736 187.3
[M+HCOO]- 415.07830 207.7
[M+CH3COO]- 429.09395 206.9
[M+Na-2H]- 391.05477 191.8
[M]+ 370.07955 187.3
[M]- 370.08065 187.3
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