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]+ 147.06160 124.9
[M+Na]+ 169.04354 136.7
[M-H]- 145.04704 128.4
[M+NH4]+ 164.08814 147.9
[M+K]+ 185.01748 134.7
[M+H-H2O]+ 129.05158 120.2
[M+HCOO]- 191.05252 145.2
[M+CH3COO]- 205.06817 177.0
[M+Na-2H]- 167.02899 132.3
[M]+ 146.05377 125.4
[M]- 146.05487 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.