CID 85873321

612541-20-5

Structural Information

Molecular Formula

C₆H₂ClF₂NO₄S

SMILES

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

InChI

InChI=1S/C6H2ClF2NO4S/c7-15(13,14)6-3(8)1-2-4(5(6)9)10(11)12/h1-2H

InChIKey

PRVMRABITVHXNT-UHFFFAOYSA-N

Compound name

2,6-difluoro-3-nitrobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 256.93613 Da
Monoisotopic Mass: 2.0
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]+	257.94341	139.7
[M+Na]+	279.92535	150.4
[M-H]-	255.92885	142.0
[M+NH4]+	274.96995	157.3
[M+K]+	295.89929	142.1
[M+H-H2O]+	239.93339	138.6
[M+HCOO]-	301.93433	153.6
[M+CH3COO]-	315.94998	182.5
[M+Na-2H]-	277.91080	145.2
[M]+	256.93558	140.7
[M]-	256.93668	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe