CID 23391121

Fp2bchpa

Structural Information

Molecular Formula
C28H33F
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)F
InChI
InChI=1S/C28H33F/c1-2-21-5-11-24(12-6-21)26-15-17-27(18-16-26)25-13-7-22(8-14-25)3-4-23-9-19-28(29)20-10-23/h7-10,13-14,19-21,24,26-27H,2,5-6,11-12,15-18H2,1H3
InChIKey
SFXGSFJOBXPBNJ-UHFFFAOYSA-N
Compound name
1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-[2-(4-fluorophenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

388.25662 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.26390 199.4
[M+Na]+ 411.24584 205.0
[M-H]- 387.24934 204.9
[M+NH4]+ 406.29044 208.5
[M+K]+ 427.21978 192.2
[M+H-H2O]+ 371.25388 182.5
[M+HCOO]- 433.25482 207.1
[M+CH3COO]- 447.27047 204.5
[M+Na-2H]- 409.23129 194.3
[M]+ 388.25607 184.2
[M]- 388.25717 184.2
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