CID 226092

1,1,1,2,2,3,3-heptafluoro-5-nitroheptane

Structural Information

Molecular Formula
C7H8F7NO2
SMILES
CCC(CC(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C7H8F7NO2/c1-2-4(15(16)17)3-5(8,9)6(10,11)7(12,13)14/h4H,2-3H2,1H3
InChIKey
OZLLKPBJUXSZOV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-5-nitroheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0443 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05158 164.2
[M+Na]+ 294.03352 166.6
[M+NH4]+ 289.07812 164.8
[M+K]+ 310.00746 166.0
[M-H]- 270.03702 156.0
[M+Na-2H]- 292.01897 162.4
[M]+ 271.04375 161.7
[M]- 271.04485 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.