CID 23391139

4odfmet

Structural Information

Molecular Formula
C23H22F2O
SMILES
CCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)C)F)F
InChI
InChI=1S/C23H22F2O/c1-3-4-13-26-23-12-10-19(15-22(23)25)20-11-9-18(14-21(20)24)17-7-5-16(2)6-8-17/h5-12,14-15H,3-4,13H2,1-2H3
InChIKey
SAJXGBNKTWFVKJ-UHFFFAOYSA-N
Compound name
1-butoxy-2-fluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

352.16388 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17116 185.2
[M+Na]+ 375.15310 193.9
[M-H]- 351.15660 192.4
[M+NH4]+ 370.19770 198.4
[M+K]+ 391.12704 186.9
[M+H-H2O]+ 335.16114 173.8
[M+HCOO]- 397.16208 205.6
[M+CH3COO]- 411.17773 217.9
[M+Na-2H]- 373.13855 185.6
[M]+ 352.16333 185.8
[M]- 352.16443 185.8
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