CID 97375

2-nitrobenzenesulfonyl fluoride

Structural Information

Molecular Formula

C₆H₄FNO₄S

SMILES

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

InChI

InChI=1S/C6H4FNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H

InChIKey

HSQIQAVSSNKMBM-UHFFFAOYSA-N

Compound name

2-nitrobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 153
Patents: 204.98451 Da
Monoisotopic Mass: 1.6
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]+	205.99179	132.7
[M+Na]+	227.97373	144.2
[M+NH4]+	223.01833	139.7
[M+K]+	243.94767	140.9
[M-H]-	203.97723	133.1
[M+Na-2H]-	225.95918	138.1
[M]+	204.98396	134.6
[M]-	204.98506	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe