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]+ 237.00952 147.5
[M+Na]+ 258.99146 158.1
[M-H]- 234.99496 151.1
[M+NH4]+ 254.03606 167.2
[M+K]+ 274.96540 154.5
[M+H-H2O]+ 218.99950 142.9
[M+HCOO]- 281.00044 161.8
[M+CH3COO]- 295.01609 186.8
[M+Na-2H]- 256.97691 149.4
[M]+ 236.00169 152.8
[M]- 236.00279 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.