CID 84764730

4-(difluoromethyl)oxane-4-carbaldehyde

Structural Information

Molecular Formula
C7H10F2O2
SMILES
C1COCCC1(C=O)C(F)F
InChI
InChI=1S/C7H10F2O2/c8-6(9)7(5-10)1-3-11-4-2-7/h5-6H,1-4H2
InChIKey
GVPSJFWEAVUQGQ-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)oxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 130.8
[M+Na]+ 187.054098 137.0
[M-H]- 163.057604 131.9
[M+NH4]+ 182.098703 151.6
[M+K]+ 203.028038 137.5
[M+H-H2O]+ 147.062140 124.4
[M+HCOO]- 209.063081 148.3
[M+CH3COO]- 223.078731 175.4
[M+Na-2H]- 185.039546 136.8
[M]+ 164.06433142 125.8
[M]- 164.06542858 125.8
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.