CID 3068482

Benzene, 4-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-1-fluoro-2-phenoxy-

Structural Information

Molecular Formula
C23H22BrFO2
SMILES
CC(C)(COCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C23H22BrFO2/c1-23(2,18-9-11-19(24)12-10-18)16-26-15-17-8-13-21(25)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKey
ADZFNJNRKINXPK-UHFFFAOYSA-N
Compound name
4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

428.0787 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.08598 199.2
[M+Na]+ 451.06792 208.5
[M-H]- 427.07142 209.3
[M+NH4]+ 446.11252 212.7
[M+K]+ 467.04186 195.9
[M+H-H2O]+ 411.07596 195.6
[M+HCOO]- 473.07690 216.8
[M+CH3COO]- 487.09255 222.8
[M+Na-2H]- 449.05337 202.9
[M]+ 428.07815 219.2
[M]- 428.07925 219.2
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