CID 12415569

5-chlorothieno[3,2-b]pyridine-6-carbaldehyde

Structural Information

Molecular Formula
C8H4ClNOS
SMILES
C1=CSC2=C1N=C(C(=C2)C=O)Cl
InChI
InChI=1S/C8H4ClNOS/c9-8-5(4-11)3-7-6(10-8)1-2-12-7/h1-4H
InChIKey
GDIOFTQASMYKFB-UHFFFAOYSA-N
Compound name
5-chlorothieno[3,2-b]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

196.97021 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.977486 134.7
[M+Na]+ 219.959428 148.4
[M-H]- 195.962934 139.5
[M+NH4]+ 215.004033 157.9
[M+K]+ 235.933368 143.4
[M+H-H2O]+ 179.967470 130.3
[M+HCOO]- 241.968411 151.2
[M+CH3COO]- 255.984061 150.1
[M+Na-2H]- 217.944876 139.8
[M]+ 196.96966142 141.6
[M]- 196.97075858 141.6
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