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]+ 179.08782 132.3
[M+Na]+ 201.06976 141.1
[M-H]- 177.07326 133.6
[M+NH4]+ 196.11436 158.2
[M+K]+ 217.04370 140.0
[M+H-H2O]+ 161.07780 127.4
[M+HCOO]- 223.07874 153.6
[M+CH3COO]- 237.09439 178.3
[M+Na-2H]- 199.05521 137.7
[M]+ 178.07999 130.6
[M]- 178.08109 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.