CID 56958303

1356542-53-4

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1CC2=C(N=C(C=C2)Cl)OC1
InChI
InChI=1S/C8H8ClNO/c9-7-4-3-6-2-1-5-11-8(6)10-7/h3-4H,1-2,5H2
InChIKey
BRDDXQFWKZKYKS-UHFFFAOYSA-N
Compound name
7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.02943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 130.1
[M+Na]+ 192.01865 139.1
[M-H]- 168.02215 133.5
[M+NH4]+ 187.06325 149.8
[M+K]+ 207.99259 136.7
[M+H-H2O]+ 152.02669 124.3
[M+HCOO]- 214.02763 145.4
[M+CH3COO]- 228.04328 143.7
[M+Na-2H]- 190.00410 139.7
[M]+ 169.02888 130.4
[M]- 169.02998 130.4
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

No patent data available for this compound.