CID 146049566

2,2-difluorobicyclo[3.1.0]hexane-1-carbaldehyde

Structural Information

Molecular Formula
C7H8F2O
SMILES
C1CC(C2(C1C2)C=O)(F)F
InChI
InChI=1S/C7H8F2O/c8-7(9)2-1-5-3-6(5,7)4-10/h4-5H,1-3H2
InChIKey
KRJURXWMDFKBRH-UHFFFAOYSA-N
Compound name
2,2-difluorobicyclo[3.1.0]hexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.061596 124.9
[M+Na]+ 169.043538 136.7
[M-H]- 145.047044 128.4
[M+NH4]+ 164.088143 147.9
[M+K]+ 185.017478 134.7
[M+H-H2O]+ 129.051580 120.2
[M+HCOO]- 191.052521 145.2
[M+CH3COO]- 205.068171 177.0
[M+Na-2H]- 167.028986 132.3
[M]+ 146.05377142 125.4
[M]- 146.05486858 125.4
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.