CID 84764468

1-(difluoromethyl)cyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C8H12F2O
SMILES
C1CCC(CC1)(C=O)C(F)F
InChI
InChI=1S/C8H12F2O/c9-7(10)8(6-11)4-2-1-3-5-8/h6-7H,1-5H2
InChIKey
WLZJJFLDKKTBED-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)cyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08562 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09290 132.7
[M+Na]+ 185.07484 138.4
[M-H]- 161.07834 133.0
[M+NH4]+ 180.11944 154.9
[M+K]+ 201.04878 137.3
[M+H-H2O]+ 145.08288 126.3
[M+HCOO]- 207.08382 150.5
[M+CH3COO]- 221.09947 176.5
[M+Na-2H]- 183.06029 137.1
[M]+ 162.08507 125.9
[M]- 162.08617 125.9
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.