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

462
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

literature stripe

Patent stripe

patents stripe