CID 12156

(2-chloroethoxy)benzene

Structural Information

Molecular Formula
C8H9ClO
SMILES
C1=CC=C(C=C1)OCCCl
InChI
InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
VQUYNUJARXBNPK-UHFFFAOYSA-N
Compound name
2-chloroethoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1068
Patents

156.0342 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 128.3
[M+Na]+ 179.02342 136.9
[M-H]- 155.02692 131.8
[M+NH4]+ 174.06802 150.2
[M+K]+ 194.99736 133.8
[M+H-H2O]+ 139.03146 123.7
[M+HCOO]- 201.03240 148.9
[M+CH3COO]- 215.04805 174.3
[M+Na-2H]- 177.00887 136.7
[M]+ 156.03365 131.2
[M]- 156.03475 131.2
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.