CID 117713299

Penfmet

Structural Information

Molecular Formula
C24H23F
SMILES
C/C=C/CCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C)F
InChI
InChI=1S/C24H23F/c1-3-4-5-6-19-9-13-20(14-10-19)22-15-16-23(24(25)17-22)21-11-7-18(2)8-12-21/h3-4,7-17H,5-6H2,1-2H3/b4-3+
InChIKey
QZNHXSCIKBEGMK-ONEGZZNKSA-N
Compound name
2-fluoro-1-(4-methylphenyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

330.17838 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18566 181.4
[M+Na]+ 353.16760 189.2
[M-H]- 329.17110 189.6
[M+NH4]+ 348.21220 195.4
[M+K]+ 369.14154 181.3
[M+H-H2O]+ 313.17564 171.1
[M+HCOO]- 375.17658 202.7
[M+CH3COO]- 389.19223 213.6
[M+Na-2H]- 351.15305 182.8
[M]+ 330.17783 180.9
[M]- 330.17893 180.9
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