CID 245499

3,7-difluoro-2-nitro-9h-fluorene

Structural Information

Molecular Formula
C13H7F2NO2
SMILES
C1C2=CC(=C(C=C2C3=C1C=C(C=C3)F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H7F2NO2/c14-9-1-2-10-7(4-9)3-8-5-13(16(17)18)12(15)6-11(8)10/h1-2,4-6H,3H2
InChIKey
JKNITGKNXVGUOQ-UHFFFAOYSA-N
Compound name
3,7-difluoro-2-nitro-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.04448 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05176 147.7
[M+Na]+ 270.03370 158.0
[M-H]- 246.03720 151.5
[M+NH4]+ 265.07830 168.5
[M+K]+ 286.00764 149.2
[M+H-H2O]+ 230.04174 144.9
[M+HCOO]- 292.04268 170.2
[M+CH3COO]- 306.05833 189.9
[M+Na-2H]- 268.01915 154.6
[M]+ 247.04393 145.6
[M]- 247.04503 145.6
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.