CID 129508777

Dtxsid10896077

Structural Information

Molecular Formula
C11F14O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11F14O/c12-2-1(3(13)5(15)6(16)4(2)14)7(26)8(17,18)9(19,20)10(21,22)11(23,24)25
InChIKey
QENSCMVCZIDXKK-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoro-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

413.97256 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.97984 176.4
[M+Na]+ 436.96178 189.5
[M-H]- 412.96528 165.2
[M+NH4]+ 432.00638 186.8
[M+K]+ 452.93572 183.9
[M+H-H2O]+ 396.96982 161.1
[M+HCOO]- 458.97076 178.3
[M+CH3COO]- 472.98641 226.3
[M+Na-2H]- 434.94723 173.9
[M]+ 413.97201 157.6
[M]- 413.97311 157.6
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

No patent data available for this compound.