CID 84762935

4-(fluoromethyl)oxane-4-carbaldehyde

Structural Information

Molecular Formula
C7H11FO2
SMILES
C1COCCC1(CF)C=O
InChI
InChI=1S/C7H11FO2/c8-5-7(6-9)1-3-10-4-2-7/h6H,1-5H2
InChIKey
PWURSZGOBKARRU-UHFFFAOYSA-N
Compound name
4-(fluoromethyl)oxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07431 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08159 127.4
[M+Na]+ 169.06353 133.8
[M-H]- 145.06703 129.9
[M+NH4]+ 164.10813 149.1
[M+K]+ 185.03747 134.4
[M+H-H2O]+ 129.07157 121.9
[M+HCOO]- 191.07251 147.0
[M+CH3COO]- 205.08816 171.7
[M+Na-2H]- 167.04898 135.3
[M]+ 146.07376 124.2
[M]- 146.07486 124.2
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.