CID 4207092

9-methyl-2,7-dinitro-9h-fluorene

Structural Information

Molecular Formula
C14H10N2O4
SMILES
CC1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O4/c1-8-13-6-9(15(17)18)2-4-11(13)12-5-3-10(16(19)20)7-14(8)12/h2-8H,1H3
InChIKey
WGBGEDCUEKJPBD-UHFFFAOYSA-N
Compound name
9-methyl-2,7-dinitro-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06406 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 159.5
[M+Na]+ 293.05328 166.6
[M-H]- 269.05678 165.4
[M+NH4]+ 288.09788 177.4
[M+K]+ 309.02722 155.1
[M+H-H2O]+ 253.06132 162.1
[M+HCOO]- 315.06226 183.5
[M+CH3COO]- 329.07791 190.1
[M+Na-2H]- 291.03873 168.2
[M]+ 270.06351 158.0
[M]- 270.06461 158.0
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.