CID 165671249

3,3-difluoro-1-methylcyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C8H12F2O
SMILES
CC1(CCCC(C1)(F)F)C=O
InChI
InChI=1S/C8H12F2O/c1-7(6-11)3-2-4-8(9,10)5-7/h6H,2-5H2,1H3
InChIKey
QFWIXFRATZUAKM-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-methylcyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08562 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09290 130.0
[M+Na]+ 185.07484 137.9
[M-H]- 161.07834 131.1
[M+NH4]+ 180.11944 154.7
[M+K]+ 201.04878 136.6
[M+H-H2O]+ 145.08288 124.7
[M+HCOO]- 207.08382 148.9
[M+CH3COO]- 221.09947 176.5
[M+Na-2H]- 183.06029 136.3
[M]+ 162.08507 124.7
[M]- 162.08617 124.7
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.