CID 15789911

138074-23-4

Structural Information

Molecular Formula
C23H34F2
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C23H34F2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-22(24)16-23(25)15-21/h14-20H,2-13H2,1H3
InChIKey
LLFRAVCUQHZKQU-UHFFFAOYSA-N
Compound name
1,3-difluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 194.8
[M+Na]+ 371.25207 205.4
[M+NH4]+ 366.29667 202.7
[M+K]+ 387.22601 195.1
[M-H]- 347.25557 198.9
[M+Na-2H]- 369.23752 199.6
[M]+ 348.26230 197.4
[M]- 348.26340 197.4
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