CID 3429852

337-20-2

Structural Information

Molecular Formula
C4F8O
SMILES
C(=O)(C(C(F)(F)F)(F)F)C(F)(F)F
InChI
InChI=1S/C4F8O/c5-2(6,4(10,11)12)1(13)3(7,8)9
InChIKey
QJPLLYVRTUXAHZ-UHFFFAOYSA-N
Compound name
1,1,1,3,3,4,4,4-octafluorobutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

215.98215 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98943 131.0
[M+Na]+ 238.97137 140.8
[M-H]- 214.97487 122.1
[M+NH4]+ 234.01597 149.1
[M+K]+ 254.94531 139.4
[M+H-H2O]+ 198.97941 121.3
[M+HCOO]- 260.98035 141.6
[M+CH3COO]- 274.99600 186.3
[M+Na-2H]- 236.95682 135.5
[M]+ 215.98160 119.0
[M]- 215.98270 119.0
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.