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: 1
Patents: 221.98659 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.993866	143.1
[M+Na]+	244.975808	154.0
[M-H]-	220.979314	146.3
[M+NH4]+	240.020413	163.0
[M+K]+	260.949748	150.3
[M+H-H2O]+	204.983850	138.7
[M+HCOO]-	266.984791	157.1
[M+CH3COO]-	281.000441	183.9
[M+Na-2H]-	242.961256	144.5
[M]+	221.98604142	147.0
[M]-	221.98713858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe