CID 165753887

2-(4,4-difluorocyclohexyl)propanal

Structural Information

Molecular Formula
C9H14F2O
SMILES
CC(C=O)C1CCC(CC1)(F)F
InChI
InChI=1S/C9H14F2O/c1-7(6-12)8-2-4-9(10,11)5-3-8/h6-8H,2-5H2,1H3
InChIKey
KVUJWVUYSGKIPT-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10127 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10855 136.1
[M+Na]+ 199.09049 142.4
[M-H]- 175.09399 136.6
[M+NH4]+ 194.13509 158.1
[M+K]+ 215.06443 141.0
[M+H-H2O]+ 159.09853 129.9
[M+HCOO]- 221.09947 153.6
[M+CH3COO]- 235.11512 180.6
[M+Na-2H]- 197.07594 139.4
[M]+ 176.10072 130.1
[M]- 176.10182 130.1
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.