CID 69252041

Methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H5ClN2O2S
SMILES
COC(=O)C1=CC2=C(C(=CN=C2S1)C#N)Cl
InChI
InChI=1S/C10H5ClN2O2S/c1-15-10(14)7-2-6-8(11)5(3-12)4-13-9(6)16-7/h2,4H,1H3
InChIKey
GOXHVDFLRBTQQS-UHFFFAOYSA-N
Compound name
methyl 4-chloro-5-cyanothieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

251.97603 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98331 156.9
[M+Na]+ 274.96525 171.9
[M-H]- 250.96875 161.2
[M+NH4]+ 270.00985 175.8
[M+K]+ 290.93919 166.1
[M+H-H2O]+ 234.97329 145.5
[M+HCOO]- 296.97423 168.7
[M+CH3COO]- 310.98988 200.9
[M+Na-2H]- 272.95070 158.9
[M]+ 251.97548 159.6
[M]- 251.97658 159.6
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