CID 42948514

5-carbamoyl-1-methyl-1h-pyrrole-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClN2O3S
SMILES
CN1C=C(C=C1C(=O)N)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClN2O3S/c1-9-3-4(13(7,11)12)2-5(9)6(8)10/h2-3H,1H3,(H2,8,10)
InChIKey
AXBOCAUMNPHCFS-UHFFFAOYSA-N
Compound name
5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.98659 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99387 145.5
[M+Na]+ 244.97581 154.9
[M+NH4]+ 240.02041 151.8
[M+K]+ 260.94975 151.4
[M-H]- 220.97931 144.3
[M+Na-2H]- 242.96126 148.2
[M]+ 221.98604 146.9
[M]- 221.98714 146.9
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