CID 155821930

4,4-difluoro-1-methoxycyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C8H12F2O2
SMILES
COC1(CCC(CC1)(F)F)C=O
InChI
InChI=1S/C8H12F2O2/c1-12-7(6-11)2-4-8(9,10)5-3-7/h6H,2-5H2,1H3
InChIKey
XNGZNOIVHBCZQN-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-methoxycyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08054 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08782 133.2
[M+Na]+ 201.06976 141.1
[M-H]- 177.07326 134.3
[M+NH4]+ 196.11436 157.2
[M+K]+ 217.04370 140.3
[M+H-H2O]+ 161.07780 127.8
[M+HCOO]- 223.07874 152.3
[M+CH3COO]- 237.09439 178.5
[M+Na-2H]- 199.05521 139.6
[M]+ 178.07999 129.4
[M]- 178.08109 129.4
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.