CID 464709

173908-29-7

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₂S

SMILES

C1=CN(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C10H9ClN2O2S/c11-8-3-4-10(9(12)7-8)16(14,15)13-5-1-2-6-13/h1-7H,12H2

InChIKey

JNLQZWXKSGAKSO-UHFFFAOYSA-N

Compound name

5-chloro-2-pyrrol-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 256.00732 Da
Monoisotopic Mass: 2.4
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]+	257.01460	153.7
[M+Na]+	278.99654	164.8
[M-H]-	255.00004	160.0
[M+NH4]+	274.04114	172.3
[M+K]+	294.97048	159.2
[M+H-H2O]+	239.00458	148.0
[M+HCOO]-	301.00552	168.8
[M+CH3COO]-	315.02117	189.4
[M+Na-2H]-	276.98199	156.5
[M]+	256.00677	157.0
[M]-	256.00787	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe