CID 165469359

3,3-difluoro-1-(trifluoromethyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C6H5F5O
SMILES
C1C(CC1(F)F)(C=O)C(F)(F)F
InChI
InChI=1S/C6H5F5O/c7-5(8)1-4(2-5,3-12)6(9,10)11/h3H,1-2H2
InChIKey
KUNAWQJGKZDURM-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-(trifluoromethyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02606 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03334 133.0
[M+Na]+ 211.01528 142.3
[M-H]- 187.01878 131.4
[M+NH4]+ 206.05988 150.2
[M+K]+ 226.98922 143.2
[M+H-H2O]+ 171.02332 122.6
[M+HCOO]- 233.02426 148.8
[M+CH3COO]- 247.03991 183.9
[M+Na-2H]- 209.00073 139.0
[M]+ 188.02551 135.1
[M]- 188.02661 135.1
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.