CID 67809

Heptafluorobutyraldehyde

Structural Information

Molecular Formula
C4HF7O
SMILES
C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C4HF7O/c5-2(6,1-12)3(7,8)4(9,10)11/h1H
InChIKey
IQJZGNJYXIIMGP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

790
Patents

197.99156 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99884 165.8
[M+Na]+ 220.98078 168.6
[M+NH4]+ 216.02538 166.8
[M+K]+ 236.95472 165.5
[M-H]- 196.98428 157.0
[M+Na-2H]- 218.96623 164.0
[M]+ 197.99101 163.3
[M]- 197.99211 163.3
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