CID 129508822

2,2,3,3,4,4,4-heptafluoro-1-(pentafluorophenyl)butan-1-one

Structural Information

Molecular Formula
C10F12O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10F12O/c11-2-1(3(12)5(14)6(15)4(2)13)7(23)8(16,17)9(18,19)10(20,21)22
InChIKey
NQVADSQEXHQDON-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

363.97574 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.98302 164.5
[M+Na]+ 386.96496 177.7
[M-H]- 362.96846 155.1
[M+NH4]+ 382.00956 177.1
[M+K]+ 402.93890 172.4
[M+H-H2O]+ 346.97300 150.4
[M+HCOO]- 408.97394 170.2
[M+CH3COO]- 422.98959 217.4
[M+Na-2H]- 384.95041 162.7
[M]+ 363.97519 148.9
[M]- 363.97629 148.9
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.