CID 3068479

Benzene, 2-(3-chlorophenoxy)-4-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-1-fluoro-

Structural Information

Molecular Formula
C23H21Cl2FO2
SMILES
CC(C)(COCC1=CC(=C(C=C1)F)OC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H21Cl2FO2/c1-23(2,17-7-9-18(24)10-8-17)15-27-14-16-6-11-21(26)22(12-16)28-20-5-3-4-19(25)13-20/h3-13H,14-15H2,1-2H3
InChIKey
OFPLMCZKDUODOL-UHFFFAOYSA-N
Compound name
2-(3-chlorophenoxy)-4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

418.09027 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09755 197.4
[M+Na]+ 441.07949 206.6
[M-H]- 417.08299 204.9
[M+NH4]+ 436.12409 209.2
[M+K]+ 457.05343 198.6
[M+H-H2O]+ 401.08753 188.0
[M+HCOO]- 463.08847 208.0
[M+CH3COO]- 477.10412 223.9
[M+Na-2H]- 439.06494 198.9
[M]+ 418.08972 203.6
[M]- 418.09082 203.6
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