CID 13906742

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

Structural Information

Molecular Formula
C23H34F2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)CCC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C23H34F2/c1-2-3-17-6-11-20(12-7-17)21-13-8-18(9-14-21)4-5-19-10-15-22(24)23(25)16-19/h10,15-18,20-21H,2-9,11-14H2,1H3
InChIKey
FQZFDALKYRQQTE-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

348.26285 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.27013 189.6
[M+Na]+ 371.25207 191.2
[M-H]- 347.25557 194.0
[M+NH4]+ 366.29667 202.2
[M+K]+ 387.22601 184.7
[M+H-H2O]+ 331.26011 178.2
[M+HCOO]- 393.26105 201.2
[M+CH3COO]- 407.27670 216.8
[M+Na-2H]- 369.23752 184.6
[M]+ 348.26230 179.6
[M]- 348.26340 179.6
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