CID 23531433

4-((4-ethyl-2,6-difluorphenyl)-ethinyl)-4'-propylbiphenyl

Structural Information

Molecular Formula
C25H22F2
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=C(C=C(C=C3F)CC)F
InChI
InChI=1S/C25H22F2/c1-3-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-24(26)16-18(4-2)17-25(23)27/h6-9,11-14,16-17H,3-5H2,1-2H3
InChIKey
BUVFXQQCFVZRSL-UHFFFAOYSA-N
Compound name
5-ethyl-1,3-difluoro-2-[2-[4-(4-propylphenyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

360.16895 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17623 188.9
[M+Na]+ 383.15817 200.1
[M-H]- 359.16167 192.9
[M+NH4]+ 378.20277 200.2
[M+K]+ 399.13211 188.8
[M+H-H2O]+ 343.16621 172.3
[M+HCOO]- 405.16715 203.1
[M+CH3COO]- 419.18280 197.1
[M+Na-2H]- 381.14362 187.3
[M]+ 360.16840 182.3
[M]- 360.16950 182.3
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