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]+ 193.103466 139.3
[M+Na]+ 215.085408 145.5
[M-H]- 191.088914 139.8
[M+NH4]+ 210.130013 160.6
[M+K]+ 231.059348 144.6
[M+H-H2O]+ 175.093450 132.9
[M+HCOO]- 237.094391 157.0
[M+CH3COO]- 251.110041 182.6
[M+Na-2H]- 213.070856 142.6
[M]+ 192.09564142 134.8
[M]- 192.09673858 134.8
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.