CID 11959087

3-chloro-2-ethoxypyridine

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CCOC1=C(C=CC=N1)Cl
InChI
InChI=1S/C7H8ClNO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
InChIKey
MTTKGSCSPHCOOF-UHFFFAOYSA-N
Compound name
3-chloro-2-ethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

157.02943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 127.2
[M+Na]+ 180.018648 137.2
[M-H]- 156.022154 129.7
[M+NH4]+ 175.063253 148.0
[M+K]+ 195.992588 134.3
[M+H-H2O]+ 140.026690 121.9
[M+HCOO]- 202.027631 146.8
[M+CH3COO]- 216.043281 175.0
[M+Na-2H]- 178.004096 135.5
[M]+ 157.02888142 130.6
[M]- 157.02997858 130.6
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