CID 165542252

3,3-difluoro-1-(methoxymethyl)cyclopentane-1-carbaldehyde

Structural Information

Molecular Formula
C8H12F2O2
SMILES
COCC1(CCC(C1)(F)F)C=O
InChI
InChI=1S/C8H12F2O2/c1-12-6-7(5-11)2-3-8(9,10)4-7/h5H,2-4,6H2,1H3
InChIKey
QUQCXKHSPMQXOV-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-(methoxymethyl)cyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08054 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.087816 132.3
[M+Na]+ 201.069758 141.1
[M-H]- 177.073264 133.6
[M+NH4]+ 196.114363 158.2
[M+K]+ 217.043698 140.0
[M+H-H2O]+ 161.077800 127.4
[M+HCOO]- 223.078741 153.6
[M+CH3COO]- 237.094391 178.3
[M+Na-2H]- 199.055206 137.7
[M]+ 178.07999142 130.6
[M]- 178.08108858 130.6
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.