CID 84762121

1-(difluoromethyl)cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C5H6F2O
SMILES
C1CC1(C=O)C(F)F
InChI
InChI=1S/C5H6F2O/c6-4(7)5(3-8)1-2-5/h3-4H,1-2H2
InChIKey
FWEZHZHMCZMCFT-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 117.7
[M+Na]+ 143.02789 127.9
[M-H]- 119.03139 120.4
[M+NH4]+ 138.07249 137.0
[M+K]+ 159.00183 127.1
[M+H-H2O]+ 103.03593 111.7
[M+HCOO]- 165.03687 139.2
[M+CH3COO]- 179.05252 173.4
[M+Na-2H]- 141.01334 124.8
[M]+ 120.03812 117.9
[M]- 120.03922 117.9
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

patents stripe