CID 56958115

161454-93-9

Structural Information

Molecular Formula
C7H6ClNO
SMILES
C1COC2=C1C=CC(=N2)Cl
InChI
InChI=1S/C7H6ClNO/c8-6-2-1-5-3-4-10-7(5)9-6/h1-2H,3-4H2
InChIKey
SWPZITKVUUEGKC-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydrofuro[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

155.0138 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02108 126.7
[M+Na]+ 178.00302 137.1
[M-H]- 154.00652 130.5
[M+NH4]+ 173.04762 148.9
[M+K]+ 193.97696 134.8
[M+H-H2O]+ 138.01106 121.6
[M+HCOO]- 200.01200 144.4
[M+CH3COO]- 214.02765 141.5
[M+Na-2H]- 175.98847 135.1
[M]+ 155.01325 128.7
[M]- 155.01435 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe