CID 50988855

5-chlorofuro[2,3-b]pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H4ClNO2
SMILES
C1=C2C=C(OC2=NC=C1Cl)C=O
InChI
InChI=1S/C8H4ClNO2/c9-6-1-5-2-7(4-11)12-8(5)10-3-6/h1-4H
InChIKey
WLBQEFRYWSZECS-UHFFFAOYSA-N
Compound name
5-chlorofuro[2,3-b]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 129.7
[M+Na]+ 203.98228 145.7
[M+NH4]+ 199.02688 139.2
[M+K]+ 219.95622 140.5
[M-H]- 179.98578 133.0
[M+Na-2H]- 201.96773 137.0
[M]+ 180.99251 133.3
[M]- 180.99361 133.3
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