CID 165362594

Dtxsid301349004

Structural Information

Molecular Formula
C10H5F15O
SMILES
C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=O
InChI
InChI=1S/C10H5F15O/c11-4(12,2-1-3-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h3H,1-2H2
InChIKey
UYOBYWFWAOPJHI-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.0101 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.01738 182.3
[M+Na]+ 448.99932 162.6
[M-H]- 425.00282 159.9
[M+NH4]+ 444.04392 163.6
[M+K]+ 464.97326 187.8
[M+H-H2O]+ 409.00736 167.8
[M+HCOO]- 471.00830 177.5
[M+CH3COO]- 485.02395 226.2
[M+Na-2H]- 446.98477 184.9
[M]+ 426.00955 155.3
[M]- 426.01065 155.3
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.