CID 23391115

Fp7chpa

Structural Information

Molecular Formula
C27H33F
SMILES
CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C27H33F/c1-2-3-4-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(28)21-15-24/h12-15,18-22,25H,2-7,10-11,16-17H2,1H3
InChIKey
UATJRBAZUWTGIH-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

376.25662 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.26390 195.3
[M+Na]+ 399.24584 201.7
[M-H]- 375.24934 198.8
[M+NH4]+ 394.29044 205.4
[M+K]+ 415.21978 190.2
[M+H-H2O]+ 359.25388 179.1
[M+HCOO]- 421.25482 206.2
[M+CH3COO]- 435.27047 224.7
[M+Na-2H]- 397.23129 192.2
[M]+ 376.25607 185.8
[M]- 376.25717 185.8
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