CID 542849

5h-perfluoropentanal

Structural Information

Molecular Formula
C5H2F8O
SMILES
C(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H2F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h1-2H
InChIKey
BQFRALWVZATVGY-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5-octafluoropentanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

31
Patents

229.99779 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00507 135.6
[M+Na]+ 252.98701 144.8
[M-H]- 228.99051 126.3
[M+NH4]+ 248.03161 152.9
[M+K]+ 268.96095 143.1
[M+H-H2O]+ 212.99505 125.6
[M+HCOO]- 274.99599 145.8
[M+CH3COO]- 289.01164 190.6
[M+Na-2H]- 250.97246 139.5
[M]+ 229.99724 124.1
[M]- 229.99834 124.1
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