CID 98563

2-chloro-6-ethoxypyridine

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CCOC1=NC(=CC=C1)Cl
InChI
InChI=1S/C7H8ClNO/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3
InChIKey
AMSLPXHLKHZWBJ-UHFFFAOYSA-N
Compound name
2-chloro-6-ethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

157.02943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 127.2
[M+Na]+ 180.01865 137.2
[M-H]- 156.02215 129.7
[M+NH4]+ 175.06325 148.0
[M+K]+ 195.99259 134.3
[M+H-H2O]+ 140.02669 121.9
[M+HCOO]- 202.02763 146.8
[M+CH3COO]- 216.04328 175.0
[M+Na-2H]- 178.00410 135.5
[M]+ 157.02888 130.6
[M]- 157.02998 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