CID 12010661

154346-21-1

Structural Information

Molecular Formula
C21H17F3
SMILES
CCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=C(C=C(C=C3)F)F)F
InChI
InChI=1S/C21H17F3/c1-2-3-14-4-6-15(7-5-14)18-10-8-16(12-20(18)23)19-11-9-17(22)13-21(19)24/h4-13H,2-3H2,1H3
InChIKey
WJWOSMQGNGQEJF-UHFFFAOYSA-N
Compound name
2,4-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

326.12823 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13551 181.6
[M+Na]+ 349.11745 196.4
[M+NH4]+ 344.16205 188.9
[M+K]+ 365.09139 186.1
[M-H]- 325.12095 185.0
[M+Na-2H]- 347.10290 190.5
[M]+ 326.12768 184.8
[M]- 326.12878 184.8
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