CID 116892

Chloro(isopropylphenoxy)benzene

Structural Information

Molecular Formula
C15H15ClO
SMILES
CC(C)C1=CC=C(C=C1)OC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H15ClO/c1-11(2)12-6-8-14(9-7-12)17-15-5-3-4-13(16)10-15/h3-11H,1-2H3
InChIKey
ARIYXPWVSQCHSD-UHFFFAOYSA-N
Compound name
1-chloro-3-(4-propan-2-ylphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

246.08115 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08843 153.4
[M+Na]+ 269.07037 162.1
[M-H]- 245.07387 160.2
[M+NH4]+ 264.11497 171.8
[M+K]+ 285.04431 157.1
[M+H-H2O]+ 229.07841 147.1
[M+HCOO]- 291.07935 172.2
[M+CH3COO]- 305.09500 193.9
[M+Na-2H]- 267.05582 157.9
[M]+ 246.08060 156.7
[M]- 246.08170 156.7
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

patents stripe