CID 165949012

1,1-difluoro-5-methylspiro[2.3]hexane-5-carbaldehyde

Structural Information

Molecular Formula
C8H10F2O
SMILES
CC1(CC2(C1)CC2(F)F)C=O
InChI
InChI=1S/C8H10F2O/c1-6(5-11)2-7(3-6)4-8(7,9)10/h5H,2-4H2,1H3
InChIKey
UXBRLXQBMWSDNK-UHFFFAOYSA-N
Compound name
2,2-difluoro-5-methylspiro[2.3]hexane-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06998 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.077256 130.8
[M+Na]+ 183.059198 141.5
[M-H]- 159.062704 136.4
[M+NH4]+ 178.103803 147.0
[M+K]+ 199.033138 143.3
[M+H-H2O]+ 143.067240 123.5
[M+HCOO]- 205.068181 149.9
[M+CH3COO]- 219.083831 183.9
[M+Na-2H]- 181.044646 138.9
[M]+ 160.06943142 140.3
[M]- 160.07052858 140.3
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.