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

2
Patents

290.0353 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.042576 152.1
[M+Na]+ 313.024518 160.7
[M-H]- 289.028024 141.7
[M+NH4]+ 308.069123 167.1
[M+K]+ 328.998458 158.4
[M+H-H2O]+ 273.032560 141.3
[M+HCOO]- 335.033501 158.8
[M+CH3COO]- 349.049151 202.3
[M+Na-2H]- 311.009966 155.0
[M]+ 290.03475142 139.6
[M]- 290.03584858 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