CID 2782188

2-(trifluoromethyl)propionaldehyde

Structural Information

Molecular Formula
C4H5F3O
SMILES
CC(C=O)C(F)(F)F
InChI
InChI=1S/C4H5F3O/c1-3(2-8)4(5,6)7/h2-3H,1H3
InChIKey
QLHMHPBDSYKXRI-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

248
Patents

126.02925 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03653 129.2
[M+Na]+ 149.01847 136.7
[M+NH4]+ 144.06307 134.7
[M+K]+ 164.99241 132.7
[M-H]- 125.02197 123.8
[M+Na-2H]- 147.00392 131.0
[M]+ 126.02870 128.3
[M]- 126.02980 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe