CID 612308

134412-18-3

Structural Information

Molecular Formula
C20H22F2
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C20H22F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h7-15H,2-6H2,1H3
InChIKey
TYZNCUASDJPXMP-UHFFFAOYSA-N
Compound name
4-[4-(4-ethylcyclohexyl)phenyl]-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

667
Patents

300.16895 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17623 171.3
[M+Na]+ 323.15817 177.5
[M-H]- 299.16167 177.6
[M+NH4]+ 318.20277 186.3
[M+K]+ 339.13211 171.1
[M+H-H2O]+ 283.16621 160.7
[M+HCOO]- 345.16715 188.4
[M+CH3COO]- 359.18280 181.4
[M+Na-2H]- 321.14362 171.2
[M]+ 300.16840 164.8
[M]- 300.16950 164.8
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

patents stripe