CID 73994645

Methyl 6-chloro-3-(chlorosulfonyl)pyridine-2-carboxylate

Structural Information

Molecular Formula
C7H5Cl2NO4S
SMILES
COC(=O)C1=C(C=CC(=N1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C7H5Cl2NO4S/c1-14-7(11)6-4(15(9,12)13)2-3-5(8)10-6/h2-3H,1H3
InChIKey
FKMZBYYOKDMNEA-UHFFFAOYSA-N
Compound name
methyl 6-chloro-3-chlorosulfonylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.93164 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.93892 145.4
[M+Na]+ 291.92086 156.8
[M-H]- 267.92436 148.8
[M+NH4]+ 286.96546 162.7
[M+K]+ 307.89480 152.6
[M+H-H2O]+ 251.92890 141.6
[M+HCOO]- 313.92984 153.5
[M+CH3COO]- 327.94549 188.7
[M+Na-2H]- 289.90631 149.0
[M]+ 268.93109 153.1
[M]- 268.93219 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