CID 84763057

1-(1,1-difluoroethyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C7H10F2O
SMILES
CC(C1(CCC1)C=O)(F)F
InChI
InChI=1S/C7H10F2O/c1-6(8,9)7(5-10)3-2-4-7/h5H,2-4H2,1H3
InChIKey
AYHIYCVPXQJKTD-UHFFFAOYSA-N
Compound name
1-(1,1-difluoroethyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.077256 127.8
[M+Na]+ 171.059198 134.8
[M-H]- 147.062704 129.2
[M+NH4]+ 166.103803 144.6
[M+K]+ 187.033138 136.6
[M+H-H2O]+ 131.067240 118.3
[M+HCOO]- 193.068181 146.5
[M+CH3COO]- 207.083831 178.2
[M+Na-2H]- 169.044646 134.7
[M]+ 148.06943142 133.4
[M]- 148.07052858 133.4
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

No patent data available for this compound.