CID 43810789

Methyl 6-chloro-5-(chlorosulfonyl)pyridine-3-carboxylate

Structural Information

Molecular Formula
C7H5Cl2NO4S
SMILES
COC(=O)C1=CC(=C(N=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C7H5Cl2NO4S/c1-14-7(11)4-2-5(15(9,12)13)6(8)10-3-4/h2-3H,1H3
InChIKey
BVGDXONOOZWPND-UHFFFAOYSA-N
Compound name
methyl 6-chloro-5-chlorosulfonylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

268.93164 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.938916 145.4
[M+Na]+ 291.920858 156.8
[M-H]- 267.924364 148.8
[M+NH4]+ 286.965463 162.7
[M+K]+ 307.894798 152.6
[M+H-H2O]+ 251.928900 141.6
[M+HCOO]- 313.929841 153.5
[M+CH3COO]- 327.945491 188.7
[M+Na-2H]- 289.906306 149.0
[M]+ 268.93109142 153.1
[M]- 268.93218858 153.1
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