CID 23391107

Fpmeochpa

Structural Information

Molecular Formula
C21H21FO
SMILES
COC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C21H21FO/c1-23-21-14-10-19(11-15-21)18-8-4-16(5-9-18)2-3-17-6-12-20(22)13-7-17/h4-9,12-13,19,21H,10-11,14-15H2,1H3
InChIKey
JSCMHRXYKCCTJT-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-methoxycyclohexyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.15765 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16493 175.0
[M+Na]+ 331.14687 183.6
[M-H]- 307.15037 179.6
[M+NH4]+ 326.19147 187.7
[M+K]+ 347.12081 174.1
[M+H-H2O]+ 291.15491 159.8
[M+HCOO]- 353.15585 187.9
[M+CH3COO]- 367.17150 183.4
[M+Na-2H]- 329.13232 174.9
[M]+ 308.15710 165.0
[M]- 308.15820 165.0
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