CID 83853779

4,4-difluoropentanal

Structural Information

Molecular Formula
C5H8F2O
SMILES
CC(CCC=O)(F)F
InChI
InChI=1S/C5H8F2O/c1-5(6,7)3-2-4-8/h4H,2-3H2,1H3
InChIKey
RGOOZDATOXURJO-UHFFFAOYSA-N
Compound name
4,4-difluoropentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

122.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.061596 120.2
[M+Na]+ 145.043538 128.7
[M-H]- 121.047044 118.2
[M+NH4]+ 140.088143 142.7
[M+K]+ 161.017478 128.2
[M+H-H2O]+ 105.051580 114.9
[M+HCOO]- 167.052521 141.1
[M+CH3COO]- 181.068171 171.1
[M+Na-2H]- 143.028986 127.4
[M]+ 122.05377142 118.9
[M]- 122.05486858 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

patents stripe