CID 3577508

3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-en-2-amine

Structural Information

Molecular Formula
C6H3F9N2O2
SMILES
C(=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N)[N+](=O)[O-]
InChI
InChI=1S/C6H3F9N2O2/c7-3(8,2(16)1-17(18)19)4(9,10)5(11,12)6(13,14)15/h1H,16H2
InChIKey
KOWLYEPMLCWOSK-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-en-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.00507 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01235 144.9
[M+Na]+ 328.99429 152.9
[M-H]- 304.99779 134.4
[M+NH4]+ 324.03889 161.7
[M+K]+ 344.96823 146.7
[M+H-H2O]+ 289.00233 138.8
[M+HCOO]- 351.00327 173.4
[M+CH3COO]- 365.01892 198.0
[M+Na-2H]- 326.97974 151.3
[M]+ 306.00452 127.6
[M]- 306.00562 127.6
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.