CID 3068471

Benzene, 1-chloro-2-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-4-phenoxy-

Structural Information

Molecular Formula
C23H22Cl2O2
SMILES
CC(C)(COCC1=C(C=CC(=C1)OC2=CC=CC=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H22Cl2O2/c1-23(2,18-8-10-19(24)11-9-18)16-26-15-17-14-21(12-13-22(17)25)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKey
SBOXLEYOAFOTAY-UHFFFAOYSA-N
Compound name
1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

400.09967 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.10695 195.0
[M+Na]+ 423.08889 203.3
[M-H]- 399.09239 203.6
[M+NH4]+ 418.13349 207.3
[M+K]+ 439.06283 195.7
[M+H-H2O]+ 383.09693 186.5
[M+HCOO]- 445.09787 206.6
[M+CH3COO]- 459.11352 220.2
[M+Na-2H]- 421.07434 197.7
[M]+ 400.09912 201.7
[M]- 400.10022 201.7
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