CID 3067140

80843-85-2

Structural Information

Molecular Formula
C24H25BrO2
SMILES
CC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C24H25BrO2/c1-18-7-9-20(10-8-18)24(2,3)17-26-16-19-5-4-6-23(15-19)27-22-13-11-21(25)12-14-22/h4-15H,16-17H2,1-3H3
InChIKey
RCFDKNATXAGFDL-UHFFFAOYSA-N
Compound name
1-bromo-4-[3-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

424.1038 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.11108 199.1
[M+Na]+ 447.09302 207.8
[M-H]- 423.09652 210.3
[M+NH4]+ 442.13762 212.7
[M+K]+ 463.06696 195.6
[M+H-H2O]+ 407.10106 196.2
[M+HCOO]- 469.10200 217.3
[M+CH3COO]- 483.11765 223.1
[M+Na-2H]- 445.07847 202.9
[M]+ 424.10325 220.4
[M]- 424.10435 220.4
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