CID 13587444

Schembl4797635

Structural Information

Molecular Formula
C23H35F
SMILES
CCCC1CCC(CC1)C2CCC(CC2)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C23H35F/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(24)17-11-20/h10-11,16-19,21-22H,2-9,12-15H2,1H3
InChIKey
FNIPGBFUEZMVHZ-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

330.27228 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.27956 185.9
[M+Na]+ 353.26150 186.4
[M-H]- 329.26500 191.4
[M+NH4]+ 348.30610 199.0
[M+K]+ 369.23544 180.4
[M+H-H2O]+ 313.26954 175.4
[M+HCOO]- 375.27048 198.6
[M+CH3COO]- 389.28613 213.0
[M+Na-2H]- 351.24695 182.3
[M]+ 330.27173 176.6
[M]- 330.27283 176.6
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