CID 21667767

3-fluoro-2,2-dimethylpropanal

Structural Information

Molecular Formula
C5H9FO
SMILES
CC(C)(CF)C=O
InChI
InChI=1S/C5H9FO/c1-5(2,3-6)4-7/h4H,3H2,1-2H3
InChIKey
HCOWLGWOVITZJB-UHFFFAOYSA-N
Compound name
3-fluoro-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

104.06374 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.071016 117.5
[M+Na]+ 127.052958 126.0
[M-H]- 103.056464 117.0
[M+NH4]+ 122.097563 140.9
[M+K]+ 143.026898 126.0
[M+H-H2O]+ 87.061000 113.3
[M+HCOO]- 149.061941 139.6
[M+CH3COO]- 163.077591 168.3
[M+Na-2H]- 125.038406 125.4
[M]+ 104.06319142 117.5
[M]- 104.06428858 117.5
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