CID 167730965

5-(difluoromethyl)spiro[2.3]hexane-5-carbaldehyde

Structural Information

Molecular Formula
C8H10F2O
SMILES
C1CC12CC(C2)(C=O)C(F)F
InChI
InChI=1S/C8H10F2O/c9-6(10)8(5-11)3-7(4-8)1-2-7/h5-6H,1-4H2
InChIKey
HKPVDOGVWGWLKO-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)spiro[2.3]hexane-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06998 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.077256 131.0
[M+Na]+ 183.059198 139.8
[M-H]- 159.062704 135.7
[M+NH4]+ 178.103803 144.9
[M+K]+ 199.033138 141.4
[M+H-H2O]+ 143.067240 121.8
[M+HCOO]- 205.068181 149.5
[M+CH3COO]- 219.083831 183.6
[M+Na-2H]- 181.044646 137.4
[M]+ 160.06943142 138.9
[M]- 160.07052858 138.9
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

No patent data available for this compound.