CID 155819965

Rac-(1r,3s)-2,2-difluoro-3-methylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C5H6F2O
SMILES
C[C@@H]1[C@H](C1(F)F)C=O
InChI
InChI=1S/C5H6F2O/c1-3-4(2-8)5(3,6)7/h2-4H,1H3/t3-,4-/m1/s1
InChIKey
CHYDIGUVIDMKNS-QWWZWVQMSA-N
Compound name
(1S,3R)-2,2-difluoro-3-methylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.03867 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04595 115.8
[M+Na]+ 143.02789 127.9
[M-H]- 119.03139 119.1
[M+NH4]+ 138.07249 135.7
[M+K]+ 159.00183 126.6
[M+H-H2O]+ 103.03593 110.3
[M+HCOO]- 165.03687 138.1
[M+CH3COO]- 179.05252 174.7
[M+Na-2H]- 141.01334 122.9
[M]+ 120.03812 117.4
[M]- 120.03922 117.4
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.