CID 65564

Trifluoroacetaldehyde

Structural Information

Molecular Formula
C2HF3O
SMILES
C(=O)C(F)(F)F
InChI
InChI=1S/C2HF3O/c3-2(4,5)1-6/h1H
InChIKey
JVTSHOJDBRTPHD-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroacetaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

158
References

64434
Patents

97.99795 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.005226 108.6
[M+Na]+ 120.98717 118.4
[M-H]- 96.990674 105.9
[M+NH4]+ 116.03177 132.1
[M+K]+ 136.96111 118.4
[M+H-H2O]+ 80.995210 102.9
[M+HCOO]- 142.99615 129.5
[M+CH3COO]- 157.01180 164.1
[M+Na-2H]- 118.97262 116.9
[M]+ 97.997401 104.9
[M]- 97.998499 104.9
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

No patent data available for this compound.