CID 3067175

Benzene, 1-((2-(3-chloro-4-methylphenyl)-2-methylpropoxy)methyl)-3-phenoxy-

Structural Information

Molecular Formula
C24H25ClO2
SMILES
CC1=C(C=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3)Cl
InChI
InChI=1S/C24H25ClO2/c1-18-12-13-20(15-23(18)25)24(2,3)17-26-16-19-8-7-11-22(14-19)27-21-9-5-4-6-10-21/h4-15H,16-17H2,1-3H3
InChIKey
YQOOSGPMAQFBPU-UHFFFAOYSA-N
Compound name
2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

380.1543 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16158 193.7
[M+Na]+ 403.14352 201.1
[M-H]- 379.14702 202.9
[M+NH4]+ 398.18812 206.2
[M+K]+ 419.11746 194.4
[M+H-H2O]+ 363.15156 184.5
[M+HCOO]- 425.15250 210.0
[M+CH3COO]- 439.16815 219.2
[M+Na-2H]- 401.12897 196.7
[M]+ 380.15375 199.3
[M]- 380.15485 199.3
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