CID 82076439

1-[(1-chloropropan-2-yl)oxy]-4-methoxybenzene

Structural Information

Molecular Formula
C10H13ClO2
SMILES
CC(CCl)OC1=CC=C(C=C1)OC
InChI
InChI=1S/C10H13ClO2/c1-8(7-11)13-10-5-3-9(12-2)4-6-10/h3-6,8H,7H2,1-2H3
InChIKey
PSIUFFZPYGXDAL-UHFFFAOYSA-N
Compound name
1-(1-chloropropan-2-yloxy)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06041 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06769 140.2
[M+Na]+ 223.04963 148.6
[M-H]- 199.05313 143.9
[M+NH4]+ 218.09423 160.6
[M+K]+ 239.02357 146.0
[M+H-H2O]+ 183.05767 135.3
[M+HCOO]- 245.05861 159.4
[M+CH3COO]- 259.07426 184.2
[M+Na-2H]- 221.03508 145.6
[M]+ 200.05986 145.2
[M]- 200.06096 145.2
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.