CID 22184032

2,3-difluoro-1-methyl-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]benzene

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

257
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 184.9
[M+Na]+ 357.23642 187.9
[M-H]- 333.23992 190.0
[M+NH4]+ 352.28102 198.5
[M+K]+ 373.21036 181.8
[M+H-H2O]+ 317.24446 174.1
[M+HCOO]- 379.24540 196.9
[M+CH3COO]- 393.26105 215.0
[M+Na-2H]- 355.22187 179.9
[M]+ 334.24665 175.0
[M]- 334.24775 175.0
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