CID 167721864

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

Structural Information

Molecular Formula
C11H18F2O
SMILES
CC(C)(CC1CCC(CC1)(F)F)C=O
InChI
InChI=1S/C11H18F2O/c1-10(2,8-14)7-9-3-5-11(12,13)6-4-9/h8-9H,3-7H2,1-2H3
InChIKey
UBTCVJWLOZRZQM-UHFFFAOYSA-N
Compound name
3-(4,4-difluorocyclohexyl)-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.13257 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13985 144.6
[M+Na]+ 227.12179 150.8
[M-H]- 203.12529 145.0
[M+NH4]+ 222.16639 165.7
[M+K]+ 243.09573 148.9
[M+H-H2O]+ 187.12983 138.6
[M+HCOO]- 249.13077 160.9
[M+CH3COO]- 263.14642 186.2
[M+Na-2H]- 225.10724 148.9
[M]+ 204.13202 139.5
[M]- 204.13312 139.5
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.