CID 82078502

1226209-28-4

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]+ 215.083326 145.1
[M+Na]+ 237.065268 153.9
[M-H]- 213.068774 148.9
[M+NH4]+ 232.109873 165.2
[M+K]+ 253.039208 151.0
[M+H-H2O]+ 197.073310 140.5
[M+HCOO]- 259.074251 163.4
[M+CH3COO]- 273.089901 186.7
[M+Na-2H]- 235.050716 151.9
[M]+ 214.07550142 150.6
[M]- 214.07659858 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.