CID 22184032

174350-06-2

Structural Information

Molecular Formula
C22H32F2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C)F)F
InChI
InChI=1S/C22H32F2/c1-3-4-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-5-15(2)21(23)22(20)24/h5,14,16-19H,3-4,6-13H2,1-2H3
InChIKey
WHGVTSKLKPNRHU-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

334.2472 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25448 190.4
[M+Na]+ 357.23642 201.6
[M+NH4]+ 352.28102 198.6
[M+K]+ 373.21036 191.7
[M-H]- 333.23992 194.7
[M+Na-2H]- 355.22187 195.4
[M]+ 334.24665 193.2
[M]- 334.24775 193.2
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