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
3
Annotation Hits

17
References

1186
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 128.7
[M+Na]+ 220.98078 138.6
[M-H]- 196.98428 120.9
[M+NH4]+ 216.02538 147.6
[M+K]+ 236.95472 137.1
[M+H-H2O]+ 180.98882 119.8
[M+HCOO]- 242.98976 141.4
[M+CH3COO]- 257.00541 183.2
[M+Na-2H]- 218.96623 134.9
[M]+ 197.99101 118.9
[M]- 197.99211 118.9
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.