CID 550421

118164-50-4

Structural Information

Molecular Formula
C20H28F2
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C20H28F2/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/h11-17H,2-10H2,1H3
InChIKey
WDECTZREPSJUQW-UHFFFAOYSA-N
Compound name
4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

436
Patents

306.2159 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22318 176.0
[M+Na]+ 329.20512 179.0
[M-H]- 305.20862 181.2
[M+NH4]+ 324.24972 190.5
[M+K]+ 345.17906 173.3
[M+H-H2O]+ 289.21316 165.4
[M+HCOO]- 351.21410 188.8
[M+CH3COO]- 365.22975 207.9
[M+Na-2H]- 327.19057 172.8
[M]+ 306.21535 165.1
[M]- 306.21645 165.1
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

patents stripe