CID 155970589

7,7-difluorospiro[3.5]nonane-2-carbaldehyde

Structural Information

Molecular Formula
C10H14F2O
SMILES
C1CC(CCC12CC(C2)C=O)(F)F
InChI
InChI=1S/C10H14F2O/c11-10(12)3-1-9(2-4-10)5-8(6-9)7-13/h7-8H,1-6H2
InChIKey
PAJSTYKQCIRVBP-UHFFFAOYSA-N
Compound name
7,7-difluorospiro[3.5]nonane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.10127 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10855 137.5
[M+Na]+ 211.09049 143.9
[M-H]- 187.09399 140.7
[M+NH4]+ 206.13509 155.0
[M+K]+ 227.06443 144.3
[M+H-H2O]+ 171.09853 127.5
[M+HCOO]- 233.09947 154.2
[M+CH3COO]- 247.11512 184.4
[M+Na-2H]- 209.07594 142.7
[M]+ 188.10072 139.7
[M]- 188.10182 139.7
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.