CID 2775830

306935-66-0

Structural Information

Molecular Formula
C6H2F9NO2
SMILES
C(=C[N+](=O)[O-])C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H2F9NO2/c7-3(8,1-2-16(17)18)4(9,10)5(11,12)6(13,14)15/h1-2H
InChIKey
BODFJDZXURKORU-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

290.99417 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.00145 144.2
[M+Na]+ 313.98339 153.3
[M-H]- 289.98689 134.3
[M+NH4]+ 309.02799 156.6
[M+K]+ 329.95733 146.9
[M+H-H2O]+ 273.99143 138.4
[M+HCOO]- 335.99237 172.7
[M+CH3COO]- 350.00802 193.7
[M+Na-2H]- 311.96884 152.1
[M]+ 290.99362 129.4
[M]- 290.99472 129.4
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.