CID 3068469

Benzene, 2-(4-bromophenoxy)-1-fluoro-4-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-

Structural Information

Molecular Formula
C23H21BrClFO2
SMILES
CC(C)(COCC1=CC(=C(C=C1)F)OC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H21BrClFO2/c1-23(2,17-4-8-19(25)9-5-17)15-27-14-16-3-12-21(26)22(13-16)28-20-10-6-18(24)7-11-20/h3-13H,14-15H2,1-2H3
InChIKey
OSGPUJRJFJWBCZ-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

462.03976 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.04704 203.8
[M+Na]+ 485.02898 215.0
[M-H]- 461.03248 214.2
[M+NH4]+ 480.07358 217.3
[M+K]+ 501.00292 200.8
[M+H-H2O]+ 445.03702 200.8
[M+HCOO]- 507.03796 217.1
[M+CH3COO]- 521.05361 227.1
[M+Na-2H]- 483.01443 206.6
[M]+ 462.03921 226.6
[M]- 462.04031 226.6
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