CID 629669

81793-59-1

Structural Information

Molecular Formula
C23H29F
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H29F/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h10-19H,2-9H2,1H3
InChIKey
GIXAVGROVIRVPE-UHFFFAOYSA-N
Compound name
1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

324.22534 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.23262 181.6
[M+Na]+ 347.21456 185.3
[M-H]- 323.21806 188.3
[M+NH4]+ 342.25916 195.2
[M+K]+ 363.18850 178.7
[M+H-H2O]+ 307.22260 171.1
[M+HCOO]- 369.22354 198.7
[M+CH3COO]- 383.23919 211.9
[M+Na-2H]- 345.20001 181.1
[M]+ 324.22479 176.7
[M]- 324.22589 176.7
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