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

93163
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

literature stripe

Patent stripe

patents stripe