CID 68028

3,3,3-trifluoropropanal

Structural Information

Molecular Formula
C3H3F3O
SMILES
C(C=O)C(F)(F)F
InChI
InChI=1S/C3H3F3O/c4-3(5,6)1-2-7/h2H,1H2
InChIKey
UTMIEQASUFFADK-UHFFFAOYSA-N
Compound name
3,3,3-trifluoropropanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2300
Patents

112.013596 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.02087 124.7
[M+Na]+ 135.00281 132.7
[M+NH4]+ 130.04742 130.5
[M+K]+ 150.97675 128.2
[M-H]- 111.00632 119.5
[M+Na-2H]- 132.98826 127.1
[M]+ 112.01305 124.0
[M]- 112.01414 124.0
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