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
2
Annotation Hits

1
References

806
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 128.1
[M+Na]+ 179.02342 142.7
[M+NH4]+ 174.06802 138.3
[M+K]+ 194.99736 134.5
[M-H]- 155.02692 131.1
[M+Na-2H]- 177.00887 137.0
[M]+ 156.03365 131.4
[M]- 156.03475 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe