CID 3067141

80843-86-3

Structural Information

Molecular Formula
C24H25ClO3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H25ClO3/c1-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26-3)12-14-22/h4-15H,16-17H2,1-3H3
InChIKey
WUZYFBMRHOKGMF-UHFFFAOYSA-N
Compound name
1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

396.14923 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15651 196.9
[M+Na]+ 419.13845 204.1
[M-H]- 395.14195 206.1
[M+NH4]+ 414.18305 208.7
[M+K]+ 435.11239 198.1
[M+H-H2O]+ 379.14649 187.5
[M+HCOO]- 441.14743 213.4
[M+CH3COO]- 455.16308 221.2
[M+Na-2H]- 417.12390 199.9
[M]+ 396.14868 203.9
[M]- 396.14978 203.9
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