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]+ 198.998836 128.7
[M+Na]+ 220.980778 138.6
[M-H]- 196.984284 120.9
[M+NH4]+ 216.025383 147.6
[M+K]+ 236.954718 137.1
[M+H-H2O]+ 180.988820 119.8
[M+HCOO]- 242.989761 141.4
[M+CH3COO]- 257.005411 183.2
[M+Na-2H]- 218.966226 134.9
[M]+ 197.99101142 118.9
[M]- 197.99210858 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