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]+ 371.087376 185.7
[M+Na]+ 393.069318 190.9
[M-H]- 369.072824 191.0
[M+NH4]+ 388.113923 199.0
[M+K]+ 409.043258 180.0
[M+H-H2O]+ 353.077360 187.3
[M+HCOO]- 415.078301 207.7
[M+CH3COO]- 429.093951 206.9
[M+Na-2H]- 391.054766 191.8
[M]+ 370.07955142 187.3
[M]- 370.08064858 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