CID 89744704

915956-24-0

Structural Information

Molecular Formula
C25H25F
SMILES
CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CCC=C)F
InChI
InChI=1S/C25H25F/c1-3-5-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(6-4-2)9-13-21/h3,8-18H,1,4-7H2,2H3
InChIKey
ZSAVFSVJKKYWBQ-UHFFFAOYSA-N
Compound name
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

344.19403 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20131 185.8
[M+Na]+ 367.18325 193.1
[M-H]- 343.18675 193.7
[M+NH4]+ 362.22785 199.1
[M+K]+ 383.15719 184.9
[M+H-H2O]+ 327.19129 175.2
[M+HCOO]- 389.19223 206.7
[M+CH3COO]- 403.20788 217.2
[M+Na-2H]- 365.16870 186.6
[M]+ 344.19348 185.6
[M]- 344.19458 185.6
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