CID 2769667

375-53-1

Structural Information

Molecular Formula
C5HF9O
SMILES
C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5HF9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H
InChIKey
ILSWGKFIWBVLDG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoropentanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

317
Patents

247.98837 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.995646 139.2
[M+Na]+ 270.977588 149.2
[M-H]- 246.981094 129.2
[M+NH4]+ 266.022193 155.8
[M+K]+ 286.951528 147.1
[M+H-H2O]+ 230.985630 128.9
[M+HCOO]- 292.986571 147.8
[M+CH3COO]- 307.002221 192.9
[M+Na-2H]- 268.963036 144.6
[M]+ 247.98782142 126.2
[M]- 247.98891858 126.2
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