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

277
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

literature stripe

Patent stripe

patents stripe