CID 15751745

5,5,6,6,7,7,8,8,8-nonafluoro-2-octanone

Structural Information

Molecular Formula
C8H7F9O
SMILES
CC(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F9O/c1-4(18)2-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2-3H2,1H3
InChIKey
QSFHSDZDCSCCGQ-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,8-nonafluorooctan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

290.0353 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04258 152.1
[M+Na]+ 313.02452 160.7
[M-H]- 289.02802 141.7
[M+NH4]+ 308.06912 167.1
[M+K]+ 328.99846 158.4
[M+H-H2O]+ 273.03256 141.3
[M+HCOO]- 335.03350 158.8
[M+CH3COO]- 349.04915 202.3
[M+Na-2H]- 311.00997 155.0
[M]+ 290.03475 139.6
[M]- 290.03585 139.6
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

patents stripe