CID 104546262

4-chloro-2-(1-chloroethyl)-1-methoxybenzene

Structural Information

Molecular Formula
C9H10Cl2O
SMILES
CC(C1=C(C=CC(=C1)Cl)OC)Cl
InChI
InChI=1S/C9H10Cl2O/c1-6(10)8-5-7(11)3-4-9(8)12-2/h3-6H,1-2H3
InChIKey
DACBQMVZHIEQJZ-UHFFFAOYSA-N
Compound name
4-chloro-2-(1-chloroethyl)-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01086 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01814 137.2
[M+Na]+ 227.00008 147.4
[M-H]- 203.00358 140.7
[M+NH4]+ 222.04468 158.1
[M+K]+ 242.97402 143.0
[M+H-H2O]+ 187.00812 133.8
[M+HCOO]- 249.00906 151.4
[M+CH3COO]- 263.02471 185.1
[M+Na-2H]- 224.98553 141.8
[M]+ 204.01031 141.7
[M]- 204.01141 141.7
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.