CID 57052546

3-(2,2,2-trifluoroethoxy)propanal

Structural Information

Molecular Formula
C5H7F3O2
SMILES
C(COCC(F)(F)F)C=O
InChI
InChI=1S/C5H7F3O2/c6-5(7,8)4-10-3-1-2-9/h2H,1,3-4H2
InChIKey
NGRXQGNQOCTQSZ-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethoxy)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

156.03981 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04709 126.1
[M+Na]+ 179.02903 134.6
[M-H]- 155.03253 122.7
[M+NH4]+ 174.07363 147.2
[M+K]+ 195.00297 134.2
[M+H-H2O]+ 139.03707 119.5
[M+HCOO]- 201.03801 146.2
[M+CH3COO]- 215.05366 175.2
[M+Na-2H]- 177.01448 132.7
[M]+ 156.03926 124.9
[M]- 156.04036 124.9
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

patents stripe