CID 3067158

80844-04-8

Structural Information

Molecular Formula
C24H24Cl2O2
SMILES
CCC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H24Cl2O2/c1-3-24(2,19-12-13-22(25)23(26)15-19)17-27-16-18-8-7-11-21(14-18)28-20-9-5-4-6-10-20/h4-15H,3,16-17H2,1-2H3
InChIKey
UPXSOQYAYJCLOD-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

414.11533 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12261 199.6
[M+Na]+ 437.10455 207.4
[M-H]- 413.10805 207.9
[M+NH4]+ 432.14915 211.3
[M+K]+ 453.07849 199.6
[M+H-H2O]+ 397.11259 190.8
[M+HCOO]- 459.11353 210.8
[M+CH3COO]- 473.12918 223.0
[M+Na-2H]- 435.09000 201.7
[M]+ 414.11478 206.6
[M]- 414.11588 206.6
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