CID 343182

4-chlorofuro[3,2-c]pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H4ClNO2
SMILES
C1=CN=C(C2=C1OC(=C2)C=O)Cl
InChI
InChI=1S/C8H4ClNO2/c9-8-6-3-5(4-11)12-7(6)1-2-10-8/h1-4H
InChIKey
JUBUEOUKRFKRFP-UHFFFAOYSA-N
Compound name
4-chlorofuro[3,2-c]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

180.99306 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.00034 130.2
[M+Na]+ 203.98228 143.5
[M-H]- 179.98578 135.1
[M+NH4]+ 199.02688 151.8
[M+K]+ 219.95622 140.4
[M+H-H2O]+ 163.99032 125.2
[M+HCOO]- 225.99126 150.9
[M+CH3COO]- 240.00691 146.0
[M+Na-2H]- 201.96773 139.4
[M]+ 180.99251 136.7
[M]- 180.99361 136.7
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