CID 2776875

Trifluoroacetaldehyde dimethyl acetal

Structural Information

Molecular Formula
C4H7F3O2
SMILES
COC(C(F)(F)F)OC
InChI
InChI=1S/C4H7F3O2/c1-8-3(9-2)4(5,6)7/h3H,1-2H3
InChIKey
CXKDYOYYYNKCRV-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2,2-dimethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

144.03981 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04709 122.9
[M+Na]+ 167.02903 131.4
[M-H]- 143.03253 119.8
[M+NH4]+ 162.07363 144.5
[M+K]+ 183.00297 132.2
[M+H-H2O]+ 127.03707 116.5
[M+HCOO]- 189.03801 142.2
[M+CH3COO]- 203.05366 174.0
[M+Na-2H]- 165.01448 128.8
[M]+ 144.03926 121.4
[M]- 144.04036 121.4
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