CID 172552

70624-14-5

Structural Information

Molecular Formula
C20H25ClO
SMILES
CC(C)CC1=C(C=CC(=C1CC(C)C)Cl)OC2=CC=CC=C2
InChI
InChI=1S/C20H25ClO/c1-14(2)12-17-18(13-15(3)4)20(11-10-19(17)21)22-16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3
InChIKey
MJRBQSMUYNZNNS-UHFFFAOYSA-N
Compound name
1-chloro-2,3-bis(2-methylpropyl)-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.1594 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16668 176.7
[M+Na]+ 339.14862 192.4
[M+NH4]+ 334.19322 185.9
[M+K]+ 355.12256 182.9
[M-H]- 315.15212 182.0
[M+Na-2H]- 337.13407 185.2
[M]+ 316.15885 181.1
[M]- 316.15995 181.1
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.