CID 23391144

4dflt

Structural Information

Molecular Formula
C22H19ClF2
SMILES
CCCCC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)Cl)F)F
InChI
InChI=1S/C22H19ClF2/c1-2-3-4-16-5-6-18(14-21(16)24)20-12-9-17(13-22(20)25)15-7-10-19(23)11-8-15/h5-14H,2-4H2,1H3
InChIKey
ZIJDPAGFAPOVSI-UHFFFAOYSA-N
Compound name
1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

356.11435 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12163 183.1
[M+Na]+ 379.10357 193.2
[M-H]- 355.10707 190.2
[M+NH4]+ 374.14817 197.2
[M+K]+ 395.07751 184.2
[M+H-H2O]+ 339.11161 172.7
[M+HCOO]- 401.11255 199.2
[M+CH3COO]- 415.12820 193.9
[M+Na-2H]- 377.08902 183.7
[M]+ 356.11380 184.5
[M]- 356.11490 184.5
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