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

77
Patents

104.06374 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.07102 117.5
[M+Na]+ 127.05296 126.0
[M-H]- 103.05646 117.0
[M+NH4]+ 122.09756 140.9
[M+K]+ 143.02690 126.0
[M+H-H2O]+ 87.061000 113.3
[M+HCOO]- 149.06194 139.6
[M+CH3COO]- 163.07759 168.3
[M+Na-2H]- 125.03841 125.4
[M]+ 104.06319 117.5
[M]- 104.06429 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