CID 165949321

3-(1,1-difluoroethyl)bicyclo[1.1.1]pentane-1-carbaldehyde

Structural Information

Molecular Formula
C8H10F2O
SMILES
CC(C12CC(C1)(C2)C=O)(F)F
InChI
InChI=1S/C8H10F2O/c1-6(9,10)8-2-7(3-8,4-8)5-11/h5H,2-4H2,1H3
InChIKey
INSSKXXYBYMAHD-UHFFFAOYSA-N
Compound name
3-(1,1-difluoroethyl)bicyclo[1.1.1]pentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06998 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.077256 152.2
[M+Na]+ 183.059198 157.6
[M-H]- 159.062704 154.1
[M+NH4]+ 178.103803 159.3
[M+K]+ 199.033138 162.3
[M+H-H2O]+ 143.067240 139.8
[M+HCOO]- 205.068181 163.4
[M+CH3COO]- 219.083831 206.8
[M+Na-2H]- 181.044646 159.2
[M]+ 160.06943142 175.4
[M]- 160.07052858 175.4
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.