CID 45791429

1146290-36-9

Structural Information

Molecular Formula

C₆H₃ClFNO₄S

SMILES

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

InChI

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

InChIKey

FNCNMVPZFVXQTL-UHFFFAOYSA-N

Compound name

2-fluoro-4-nitrobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 238.94554 Da
Monoisotopic Mass: 1.9
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	139.0
[M+Na]+	261.93476	148.9
[M-H]-	237.93826	142.3
[M+NH4]+	256.97936	157.1
[M+K]+	277.90870	141.0
[M+H-H2O]+	221.94280	138.6
[M+HCOO]-	283.94374	153.9
[M+CH3COO]-	297.95939	178.6
[M+Na-2H]-	259.92021	145.5
[M]+	238.94499	140.7
[M]-	238.94609	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe