CID 84762384

1-(difluoromethyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C6H8F2O
SMILES
C1CC(C1)(C=O)C(F)F
InChI
InChI=1S/C6H8F2O/c7-5(8)6(4-9)2-1-3-6/h4-5H,1-3H2
InChIKey
ZDIXAXQAYLPDBT-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.05432 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06160 124.1
[M+Na]+ 157.04354 130.8
[M-H]- 133.04704 125.5
[M+NH4]+ 152.08814 141.3
[M+K]+ 173.01748 132.9
[M+H-H2O]+ 117.05158 114.2
[M+HCOO]- 179.05252 143.7
[M+CH3COO]- 193.06817 175.8
[M+Na-2H]- 155.02899 129.6
[M]+ 134.05377 129.2
[M]- 134.05487 129.2
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.