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

61
Patents

122.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 126.1
[M+Na]+ 145.04354 135.0
[M+NH4]+ 140.08814 132.7
[M+K]+ 161.01748 130.0
[M-H]- 121.04704 122.3
[M+Na-2H]- 143.02899 129.1
[M]+ 122.05377 126.0
[M]- 122.05487 126.0
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