CID 155973001

2-[4-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetaldehyde

Structural Information

Molecular Formula
C8H6F6O4
SMILES
CC1(C(=O)OC(O1)(C(F)(F)F)C(F)(F)F)CC=O
InChI
InChI=1S/C8H6F6O4/c1-5(2-3-15)4(16)17-6(18-5,7(9,10)11)8(12,13)14/h3H,2H2,1H3
InChIKey
ZIVWFWFIOJOCGW-UHFFFAOYSA-N
Compound name
2-[4-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.01703 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02431 143.8
[M+Na]+ 303.00625 154.9
[M-H]- 279.00975 141.9
[M+NH4]+ 298.05085 163.0
[M+K]+ 318.98019 155.5
[M+H-H2O]+ 263.01429 137.7
[M+HCOO]- 325.01523 156.5
[M+CH3COO]- 339.03088 193.8
[M+Na-2H]- 300.99170 151.3
[M]+ 280.01648 139.7
[M]- 280.01758 139.7
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.