CID 23391140

F4oft

Structural Information

Molecular Formula
C22H20F2O
SMILES
CCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C22H20F2O/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
VHUNGGITQCNASN-UHFFFAOYSA-N
Compound name
1-butoxy-2-fluoro-4-[4-(4-fluorophenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.14822 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15550 180.7
[M+Na]+ 361.13744 188.9
[M-H]- 337.14094 187.7
[M+NH4]+ 356.18204 194.2
[M+K]+ 377.11138 182.1
[M+H-H2O]+ 321.14548 169.3
[M+HCOO]- 383.14642 201.5
[M+CH3COO]- 397.16207 213.7
[M+Na-2H]- 359.12289 182.4
[M]+ 338.14767 180.5
[M]- 338.14877 180.5
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