CID 155819576

2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde

Structural Information

Molecular Formula
C9H14F2O2
SMILES
COC(C=O)C1CCC(CC1)(F)F
InChI
InChI=1S/C9H14F2O2/c1-13-8(6-12)7-2-4-9(10,11)5-3-7/h6-8H,2-5H2,1H3
InChIKey
ZKPUPYFNVFVMKU-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09619 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10347 144.9
[M+Na]+ 215.08541 153.2
[M+NH4]+ 210.13001 152.9
[M+K]+ 231.05935 146.1
[M-H]- 191.08891 143.1
[M+Na-2H]- 213.07086 149.0
[M]+ 192.09564 145.4
[M]- 192.09674 145.4
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.