CID 137951762

6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H7ClN2O4S
SMILES
C1CC(=O)N(C1=O)C2=NC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClN2O4S/c10-17(15,16)6-1-2-7(11-5-6)12-8(13)3-4-9(12)14/h1-2,5H,3-4H2
InChIKey
DXXRTCORBYSAML-UHFFFAOYSA-N
Compound name
6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9815 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98878 155.7
[M+Na]+ 296.97072 166.9
[M-H]- 272.97422 161.0
[M+NH4]+ 292.01532 172.5
[M+K]+ 312.94466 162.5
[M+H-H2O]+ 256.97876 149.9
[M+HCOO]- 318.97970 167.3
[M+CH3COO]- 332.99535 189.4
[M+Na-2H]- 294.95617 157.1
[M]+ 273.98095 159.6
[M]- 273.98205 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

No patent data available for this compound.