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

1151
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

literature stripe

Patent stripe

patents stripe