CID 533723

Octanal, pentadecafluoro-

Structural Information

Molecular Formula
C8HF15O
SMILES
C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8HF15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H
InChIKey
QIYBNKVPACGQCB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

232
Patents

397.9788 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.98608 173.4
[M+Na]+ 420.96802 183.3
[M-H]- 396.97152 158.2
[M+NH4]+ 416.01262 156.0
[M+K]+ 436.94196 180.0
[M+H-H2O]+ 380.97606 159.2
[M+HCOO]- 442.97700 170.6
[M+CH3COO]- 456.99265 220.9
[M+Na-2H]- 418.95347 176.8
[M]+ 397.97825 150.4
[M]- 397.97935 150.4
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