CID 2782533

3,3,4,4,5,5,5-heptafluoropentanal

Structural Information

Molecular Formula
C5H3F7O
SMILES
C(C=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H3F7O/c6-3(7,1-2-13)4(8,9)5(10,11)12/h2H,1H2
InChIKey
FNUBKINEQIEODM-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoropentanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2621
Patents

212.00722 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01450 133.5
[M+Na]+ 234.99644 143.0
[M-H]- 210.99994 125.5
[M+NH4]+ 230.04104 151.9
[M+K]+ 250.97038 141.3
[M+H-H2O]+ 195.00448 124.4
[M+HCOO]- 257.00542 145.8
[M+CH3COO]- 271.02107 186.1
[M+Na-2H]- 232.98189 139.2
[M]+ 212.00667 124.1
[M]- 212.00777 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

No literature data available for this compound.

Patent stripe

patents stripe