CID 171868

Einecs 267-075-1

Structural Information

Molecular Formula
C24H33ClO
SMILES
CC(C)CC1=C(C(=C(C=C1OC2=CC=CC=C2)Cl)CC(C)C)CC(C)C
InChI
InChI=1S/C24H33ClO/c1-16(2)12-20-21(13-17(3)4)23(25)15-24(22(20)14-18(5)6)26-19-10-8-7-9-11-19/h7-11,15-18H,12-14H2,1-6H3
InChIKey
PZYZUOKCAVTIMW-UHFFFAOYSA-N
Compound name
1-chloro-2,3,4-tris(2-methylpropyl)-5-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.222 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22928 194.6
[M+Na]+ 395.21122 209.3
[M+NH4]+ 390.25582 202.9
[M+K]+ 411.18516 200.0
[M-H]- 371.21472 199.5
[M+Na-2H]- 393.19667 201.3
[M]+ 372.22145 198.7
[M]- 372.22255 198.7
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

No patent data available for this compound.