CID 136533

Hexafluorocyclobutanone

Structural Information

Molecular Formula
C4F6O
SMILES
C1(=O)C(C(C1(F)F)(F)F)(F)F
InChI
InChI=1S/C4F6O/c5-2(6)1(11)3(7,8)4(2,9)10
InChIKey
OKMQQXIEPRGARV-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4-hexafluorocyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

67
Patents

177.98534 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.99262 123.4
[M+Na]+ 200.97456 135.8
[M-H]- 176.97806 121.9
[M+NH4]+ 196.01916 143.3
[M+K]+ 216.94850 136.3
[M+H-H2O]+ 160.98260 114.0
[M+HCOO]- 222.98354 140.3
[M+CH3COO]- 236.99919 183.5
[M+Na-2H]- 198.96001 129.3
[M]+ 177.98479 125.3
[M]- 177.98589 125.3
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