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
4
Annotation Hits

1
References

1070
Patents

156.0342 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.041476 128.3
[M+Na]+ 179.023418 136.9
[M-H]- 155.026924 131.8
[M+NH4]+ 174.068023 150.2
[M+K]+ 194.997358 133.8
[M+H-H2O]+ 139.031460 123.7
[M+HCOO]- 201.032401 148.9
[M+CH3COO]- 215.048051 174.3
[M+Na-2H]- 177.008866 136.7
[M]+ 156.03365142 131.2
[M]- 156.03474858 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

literature stripe

Patent stripe

patents stripe