CID 12010663

326894-55-7

Structural Information

Molecular Formula
C20H14F4
SMILES
CCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)F)F)F
InChI
InChI=1S/C20H14F4/c1-2-12-3-5-13(6-4-12)14-7-8-16(17(21)9-14)15-10-18(22)20(24)19(23)11-15/h3-11H,2H2,1H3
InChIKey
BYZUWIASASXWRG-UHFFFAOYSA-N
Compound name
5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

330.10315 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11043 174.1
[M+Na]+ 353.09237 185.4
[M-H]- 329.09587 179.6
[M+NH4]+ 348.13697 188.5
[M+K]+ 369.06631 177.5
[M+H-H2O]+ 313.10041 161.8
[M+HCOO]- 375.10135 193.2
[M+CH3COO]- 389.11700 185.3
[M+Na-2H]- 351.07782 174.3
[M]+ 330.10260 170.6
[M]- 330.10370 170.6
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