CID 23391131

Fp2ochpa

Structural Information

Molecular Formula
C22H23FO
SMILES
CCOC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C22H23FO/c1-2-24-22-15-11-20(12-16-22)19-9-5-17(6-10-19)3-4-18-7-13-21(23)14-8-18/h5-10,13-14,20,22H,2,11-12,15-16H2,1H3
InChIKey
SJZDFJRWXJMFFJ-UHFFFAOYSA-N
Compound name
1-(4-ethoxycyclohexyl)-4-[2-(4-fluorophenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.17328 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18056 178.9
[M+Na]+ 345.16250 187.1
[M-H]- 321.16600 183.4
[M+NH4]+ 340.20710 191.0
[M+K]+ 361.13644 177.4
[M+H-H2O]+ 305.17054 163.5
[M+HCOO]- 367.17148 191.5
[M+CH3COO]- 381.18713 186.9
[M+Na-2H]- 343.14795 178.3
[M]+ 322.17273 169.2
[M]- 322.17383 169.2
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