CID 54564000

5,5-difluorohexanal

Structural Information

Molecular Formula
C6H10F2O
SMILES
CC(CCCC=O)(F)F
InChI
InChI=1S/C6H10F2O/c1-6(7,8)4-2-3-5-9/h5H,2-4H2,1H3
InChIKey
OERSBMHYQHOUJL-UHFFFAOYSA-N
Compound name
5,5-difluorohexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.077256 124.9
[M+Na]+ 159.059198 133.0
[M-H]- 135.062704 122.8
[M+NH4]+ 154.103803 146.9
[M+K]+ 175.033138 132.3
[M+H-H2O]+ 119.067240 119.4
[M+HCOO]- 181.068181 145.6
[M+CH3COO]- 195.083831 174.1
[M+Na-2H]- 157.044646 131.6
[M]+ 136.06943142 124.1
[M]- 136.07052858 124.1
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.