CID 2759046

568586-10-7

Structural Information

Molecular Formula

C₆H₃ClFNO₄S

SMILES

C1=CC(=C(C=C1F)[N+](=O)[O-])S(=O)(=O)Cl

InChI

InChI=1S/C6H3ClFNO4S/c7-14(12,13)6-2-1-4(8)3-5(6)9(10)11/h1-3H

InChIKey

BHSUAEKACYUVJP-UHFFFAOYSA-N

Compound name

4-fluoro-2-nitrobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 238.94554 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]+	239.95282	137.5
[M+Na]+	261.93476	150.1
[M+NH4]+	256.97936	144.7
[M+K]+	277.90870	146.2
[M-H]-	237.93826	137.9
[M+Na-2H]-	259.92021	142.9
[M]+	238.94499	139.9
[M]-	238.94609	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe