CID 87181486

2-(4,4-difluorocyclohexyl)acetaldehyde

Structural Information

Molecular Formula
C8H12F2O
SMILES
C1CC(CCC1CC=O)(F)F
InChI
InChI=1S/C8H12F2O/c9-8(10)4-1-7(2-5-8)3-6-11/h6-7H,1-5H2
InChIKey
MTHWYKRAEGEWAH-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

162.08562 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09290 131.3
[M+Na]+ 185.07484 138.2
[M-H]- 161.07834 132.0
[M+NH4]+ 180.11944 154.0
[M+K]+ 201.04878 136.7
[M+H-H2O]+ 145.08288 125.1
[M+HCOO]- 207.08382 150.2
[M+CH3COO]- 221.09947 176.7
[M+Na-2H]- 183.06029 136.4
[M]+ 162.08507 125.6
[M]- 162.08617 125.6
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

patents stripe