CID 65367369

5-(dimethylcarbamoyl)-1-methyl-1h-pyrrole-3-sulfonyl chloride

Structural Information

Molecular Formula
C8H11ClN2O3S
SMILES
CN1C=C(C=C1C(=O)N(C)C)S(=O)(=O)Cl
InChI
InChI=1S/C8H11ClN2O3S/c1-10(2)8(12)7-4-6(5-11(7)3)15(9,13)14/h4-5H,1-3H3
InChIKey
GCEDMSUULBOKKZ-UHFFFAOYSA-N
Compound name
5-(dimethylcarbamoyl)-1-methylpyrrole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0179 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02518 151.0
[M+Na]+ 273.00712 161.2
[M-H]- 249.01062 156.0
[M+NH4]+ 268.05172 170.8
[M+K]+ 288.98106 158.9
[M+H-H2O]+ 233.01516 146.1
[M+HCOO]- 295.01610 165.5
[M+CH3COO]- 309.03175 193.2
[M+Na-2H]- 270.99257 151.9
[M]+ 250.01735 158.0
[M]- 250.01845 158.0
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.