CID 11759813

Perfluoroheptanal

Structural Information

Molecular Formula
C7HF13O
SMILES
C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HF13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H
InChIKey
YYYONDXERNIFKX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

503
Patents

347.982 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.98928 161.5
[M+Na]+ 370.97122 171.5
[M-H]- 346.97472 147.8
[M+NH4]+ 366.01582 173.5
[M+K]+ 386.94516 168.5
[M+H-H2O]+ 330.97926 148.5
[M+HCOO]- 392.98020 162.4
[M+CH3COO]- 406.99585 211.9
[M+Na-2H]- 368.95667 165.6
[M]+ 347.98145 141.9
[M]- 347.98255 141.9
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.