CID 117713297

Penf2t

Structural Information

Molecular Formula
C25H25F
SMILES
CCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)CC/C=C/C)F
InChI
InChI=1S/C25H25F/c1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25(26)18-23)22-14-8-19(4-2)9-15-22/h3,5,8-18H,4,6-7H2,1-2H3/b5-3+
InChIKey
OOEWGMFONPTPMU-HWKANZROSA-N
Compound name
1-(4-ethylphenyl)-2-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

344.19403 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20131 186.1
[M+Na]+ 367.18325 193.4
[M-H]- 343.18675 194.0
[M+NH4]+ 362.22785 199.4
[M+K]+ 383.15719 185.2
[M+H-H2O]+ 327.19129 175.5
[M+HCOO]- 389.19223 207.0
[M+CH3COO]- 403.20788 216.6
[M+Na-2H]- 365.16870 186.9
[M]+ 344.19348 185.8
[M]- 344.19458 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