CID 23391127

Fp4ochpa

Structural Information

Molecular Formula
C24H27FO
SMILES
CCCCOC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C24H27FO/c1-2-3-18-26-24-16-12-22(13-17-24)21-10-6-19(7-11-21)4-5-20-8-14-23(25)15-9-20/h6-11,14-15,22,24H,2-3,12-13,16-18H2,1H3
InChIKey
HOVCUFSGIASSQA-UHFFFAOYSA-N
Compound name
1-(4-butoxycyclohexyl)-4-[2-(4-fluorophenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

350.2046 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21188 186.7
[M+Na]+ 373.19382 194.1
[M-H]- 349.19732 190.7
[M+NH4]+ 368.23842 197.7
[M+K]+ 389.16776 183.9
[M+H-H2O]+ 333.20186 170.8
[M+HCOO]- 395.20280 198.6
[M+CH3COO]- 409.21845 218.5
[M+Na-2H]- 371.17927 185.1
[M]+ 350.20405 177.6
[M]- 350.20515 177.6
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