CID 612307

Dtxsid10346461

Structural Information

Molecular Formula
C23H28F2
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C23H28F2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h10-18H,2-9H2,1H3
InChIKey
NQLHGECGZRJQLF-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

400
Patents

342.2159 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22318 185.1
[M+Na]+ 365.20512 189.9
[M-H]- 341.20862 190.8
[M+NH4]+ 360.24972 198.3
[M+K]+ 381.17906 182.8
[M+H-H2O]+ 325.21316 173.8
[M+HCOO]- 387.21410 201.2
[M+CH3COO]- 401.22975 215.7
[M+Na-2H]- 363.19057 183.3
[M]+ 342.21535 179.6
[M]- 342.21645 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

literature stripe

Patent stripe

patents stripe