CID 12531594

2-fluoro-2-methylpropanal

Structural Information

Molecular Formula
C4H7FO
SMILES
CC(C)(C=O)F
InChI
InChI=1S/C4H7FO/c1-4(2,5)3-6/h3H,1-2H3
InChIKey
GLXZRTVCHHTNIY-UHFFFAOYSA-N
Compound name
2-fluoro-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

90.048096 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.055372 112.7
[M+Na]+ 113.037314 121.6
[M-H]- 89.040820 112.4
[M+NH4]+ 108.081919 136.7
[M+K]+ 129.011254 121.9
[M+H-H2O]+ 73.045356 108.7
[M+HCOO]- 135.046297 135.1
[M+CH3COO]- 149.061947 165.2
[M+Na-2H]- 111.022762 121.2
[M]+ 90.04754742 112.4
[M]- 90.04864458 112.4
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