CID 42956149

1050910-45-6

Structural Information

Molecular Formula
C7H9ClN2O3S
SMILES
CNC(=O)C1=CC(=CN1C)S(=O)(=O)Cl
InChI
InChI=1S/C7H9ClN2O3S/c1-9-7(11)6-3-5(4-10(6)2)14(8,12)13/h3-4H,1-2H3,(H,9,11)
InChIKey
AUZVCWXHUZTUTG-UHFFFAOYSA-N
Compound name
1-methyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.00224 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.009516 147.5
[M+Na]+ 258.991458 158.1
[M-H]- 234.994964 151.1
[M+NH4]+ 254.036063 167.2
[M+K]+ 274.965398 154.5
[M+H-H2O]+ 218.999500 142.9
[M+HCOO]- 281.000441 161.8
[M+CH3COO]- 295.016091 186.8
[M+Na-2H]- 256.976906 149.4
[M]+ 236.00169142 152.8
[M]- 236.00278858 152.8
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.