CID 20324440

62009-39-6

Structural Information

Molecular Formula

C₅H₂Cl₂N₂O₄S

SMILES

C1=C(C=NC(=C1[N+](=O)[O-])Cl)S(=O)(=O)Cl

InChI

InChI=1S/C5H2Cl2N2O4S/c6-5-4(9(10)11)1-3(2-8-5)14(7,12)13/h1-2H

InChIKey

UYWDUAQLNWMIMA-UHFFFAOYSA-N

Compound name

6-chloro-5-nitropyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
Patents: 255.91124 Da
Monoisotopic Mass: 1.7
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]+	256.91852	142.9
[M+Na]+	278.90046	152.8
[M-H]-	254.90396	145.7
[M+NH4]+	273.94506	159.3
[M+K]+	294.87440	144.7
[M+H-H2O]+	238.90850	143.6
[M+HCOO]-	300.90944	152.7
[M+CH3COO]-	314.92509	180.4
[M+Na-2H]-	276.88591	149.7
[M]+	255.91069	146.3
[M]-	255.91179	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe