CID 86717472

7-chloro-6-iodothieno[3,2-b]pyridine

Structural Information

Molecular Formula
C7H3ClINS
SMILES
C1=CSC2=C(C(=CN=C21)I)Cl
InChI
InChI=1S/C7H3ClINS/c8-6-4(9)3-10-5-1-2-11-7(5)6/h1-3H
InChIKey
YLDUIWHPOFIVEJ-UHFFFAOYSA-N
Compound name
7-chloro-6-iodothieno[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

294.87195 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.87923 133.6
[M+Na]+ 317.86117 140.0
[M-H]- 293.86467 131.2
[M+NH4]+ 312.90577 152.1
[M+K]+ 333.83511 141.1
[M+H-H2O]+ 277.86921 125.7
[M+HCOO]- 339.87015 145.2
[M+CH3COO]- 353.88580 144.8
[M+Na-2H]- 315.84662 127.7
[M]+ 294.87140 136.7
[M]- 294.87250 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

No literature data available for this compound.

Patent stripe

patents stripe