CID 167732663

Methyl 5-(chlorosulfonyl)-4h,5h,6h,7h-thieno[3,2-c]pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H10ClNO4S2
SMILES
COC(=O)C1=CC2=C(S1)CCN(C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H10ClNO4S2/c1-15-9(12)8-4-6-5-11(17(10,13)14)3-2-7(6)16-8/h4H,2-3,5H2,1H3
InChIKey
GBYJCQPEOLGFSF-UHFFFAOYSA-N
Compound name
methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.97397 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.98125 160.6
[M+Na]+ 317.96319 170.2
[M-H]- 293.96669 164.1
[M+NH4]+ 313.00779 179.2
[M+K]+ 333.93713 166.1
[M+H-H2O]+ 277.97123 157.2
[M+HCOO]- 339.97217 165.4
[M+CH3COO]- 353.98782 192.9
[M+Na-2H]- 315.94864 161.5
[M]+ 294.97342 166.3
[M]- 294.97452 166.3
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

No patent data available for this compound.