CID 155943578

1-chloro-3-(2-chloroethyl)-5-methoxybenzene

Structural Information

Molecular Formula
C9H10Cl2O
SMILES
COC1=CC(=CC(=C1)CCCl)Cl
InChI
InChI=1S/C9H10Cl2O/c1-12-9-5-7(2-3-10)4-8(11)6-9/h4-6H,2-3H2,1H3
InChIKey
HBIVXXSEXLNDNP-UHFFFAOYSA-N
Compound name
1-chloro-3-(2-chloroethyl)-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01086 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.018136 137.8
[M+Na]+ 227.000078 148.2
[M-H]- 203.003584 141.1
[M+NH4]+ 222.044683 158.7
[M+K]+ 242.974018 143.4
[M+H-H2O]+ 187.008120 134.1
[M+HCOO]- 249.009061 152.9
[M+CH3COO]- 263.024711 184.3
[M+Na-2H]- 224.985526 143.4
[M]+ 204.01031142 142.8
[M]- 204.01140858 142.8
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.