CID 69326

1-chloro-4-ethoxybenzene

Structural Information

Molecular Formula
C8H9ClO
SMILES
CCOC1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H9ClO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKey
IXLSVQMYQRAMEW-UHFFFAOYSA-N
Compound name
1-chloro-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

741
Patents

156.0342 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 127.6
[M+Na]+ 179.02342 137.2
[M-H]- 155.02692 131.5
[M+NH4]+ 174.06802 149.9
[M+K]+ 194.99736 134.2
[M+H-H2O]+ 139.03146 123.3
[M+HCOO]- 201.03240 148.2
[M+CH3COO]- 215.04805 175.4
[M+Na-2H]- 177.00887 135.4
[M]+ 156.03365 131.0
[M]- 156.03475 131.0
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