CID 23391142

4oflt

Structural Information

Molecular Formula
C22H20ClFO
SMILES
CCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C22H20ClFO/c1-2-3-14-25-22-13-10-19(15-21(22)24)18-6-4-16(5-7-18)17-8-11-20(23)12-9-17/h4-13,15H,2-3,14H2,1H3
InChIKey
SHGWAPJNTVQQPL-UHFFFAOYSA-N
Compound name
1-butoxy-4-[4-(4-chlorophenyl)phenyl]-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.11868 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12596 183.8
[M+Na]+ 377.10790 192.8
[M-H]- 353.11140 192.0
[M+NH4]+ 372.15250 197.7
[M+K]+ 393.08184 184.9
[M+H-H2O]+ 337.11594 174.0
[M+HCOO]- 399.11688 201.2
[M+CH3COO]- 413.13253 194.7
[M+Na-2H]- 375.09335 185.7
[M]+ 354.11813 187.2
[M]- 354.11923 187.2
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