CID 23391109

Fp3ochpa

Structural Information

Molecular Formula
C23H25FO
SMILES
CCCOC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C23H25FO/c1-2-17-25-23-15-11-21(12-16-23)20-9-5-18(6-10-20)3-4-19-7-13-22(24)14-8-19/h5-10,13-14,21,23H,2,11-12,15-17H2,1H3
InChIKey
YMFKSOYETLRFHD-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-propoxycyclohexyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.18893 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19621 182.8
[M+Na]+ 359.17815 190.6
[M-H]- 335.18165 187.0
[M+NH4]+ 354.22275 194.4
[M+K]+ 375.15209 180.7
[M+H-H2O]+ 319.18619 167.2
[M+HCOO]- 381.18713 195.1
[M+CH3COO]- 395.20278 190.4
[M+Na-2H]- 357.16360 181.7
[M]+ 336.18838 173.4
[M]- 336.18948 173.4
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