CID 165778862

3-(3,3-difluorocyclobutyl)propanal

Structural Information

Molecular Formula
C7H10F2O
SMILES
C1C(CC1(F)F)CCC=O
InChI
InChI=1S/C7H10F2O/c8-7(9)4-6(5-7)2-1-3-10/h3,6H,1-2,4-5H2
InChIKey
XZLAWGADMVVBLV-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.077256 126.4
[M+Na]+ 171.059198 133.8
[M-H]- 147.062704 127.9
[M+NH4]+ 166.103803 143.4
[M+K]+ 187.033138 135.3
[M+H-H2O]+ 131.067240 116.5
[M+HCOO]- 193.068181 146.6
[M+CH3COO]- 207.083831 179.0
[M+Na-2H]- 169.044646 132.1
[M]+ 148.06943142 132.9
[M]- 148.07052858 132.9
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

No patent data available for this compound.