CID 82078502

1-((1-chloro-2-methylpropan-2-yl)oxy)-4-methoxybenzene

Structural Information

Molecular Formula
C11H15ClO2
SMILES
CC(C)(CCl)OC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H15ClO2/c1-11(2,8-12)14-10-6-4-9(13-3)5-7-10/h4-7H,8H2,1-3H3
InChIKey
PFAAIIMPPHSISG-UHFFFAOYSA-N
Compound name
1-(1-chloro-2-methylpropan-2-yl)oxy-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07605 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08333 145.1
[M+Na]+ 237.06527 153.9
[M-H]- 213.06877 148.9
[M+NH4]+ 232.10987 165.2
[M+K]+ 253.03921 151.0
[M+H-H2O]+ 197.07331 140.5
[M+HCOO]- 259.07425 163.4
[M+CH3COO]- 273.08990 186.7
[M+Na-2H]- 235.05072 151.9
[M]+ 214.07550 150.6
[M]- 214.07660 150.6
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.