CID 23391108

Fp5ochpa

Structural Information

Molecular Formula
C25H29FO
SMILES
CCCCCOC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C25H29FO/c1-2-3-4-19-27-25-17-13-23(14-18-25)22-11-7-20(8-12-22)5-6-21-9-15-24(26)16-10-21/h7-12,15-16,23,25H,2-4,13-14,17-19H2,1H3
InChIKey
ICQQABGSYPIISM-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-pentoxycyclohexyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

364.22025 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22753 190.5
[M+Na]+ 387.20947 197.5
[M-H]- 363.21297 194.4
[M+NH4]+ 382.25407 201.0
[M+K]+ 403.18341 187.2
[M+H-H2O]+ 347.21751 174.5
[M+HCOO]- 409.21845 202.2
[M+CH3COO]- 423.23410 221.2
[M+Na-2H]- 385.19492 188.4
[M]+ 364.21970 181.7
[M]- 364.22080 181.7
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