CID 166000262

3-(4,4-difluorocyclohexyl)-2-methylpropanal

Structural Information

Molecular Formula
C10H16F2O
SMILES
CC(CC1CCC(CC1)(F)F)C=O
InChI
InChI=1S/C10H16F2O/c1-8(7-13)6-9-2-4-10(11,12)5-3-9/h7-9H,2-6H2,1H3
InChIKey
NULYYGKSGLJTBT-UHFFFAOYSA-N
Compound name
3-(4,4-difluorocyclohexyl)-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11693 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12421 140.8
[M+Na]+ 213.10615 146.6
[M-H]- 189.10965 141.1
[M+NH4]+ 208.15075 162.2
[M+K]+ 229.08009 145.0
[M+H-H2O]+ 173.11419 134.3
[M+HCOO]- 235.11513 157.9
[M+CH3COO]- 249.13078 183.6
[M+Na-2H]- 211.09160 143.4
[M]+ 190.11638 135.1
[M]- 190.11748 135.1
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.