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]+ 205.01814 137.8
[M+Na]+ 227.00008 148.2
[M-H]- 203.00358 141.1
[M+NH4]+ 222.04468 158.7
[M+K]+ 242.97402 143.4
[M+H-H2O]+ 187.00812 134.1
[M+HCOO]- 249.00906 152.9
[M+CH3COO]- 263.02471 184.3
[M+Na-2H]- 224.98553 143.4
[M]+ 204.01031 142.8
[M]- 204.01141 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.