CID 137949483

2169623-60-1

Structural Information

Molecular Formula

C₆H₅BrFNO₂S

SMILES

C1=C(C=C(C=C1S(=O)(=O)F)Br)N

InChI

InChI=1S/C6H5BrFNO2S/c7-4-1-5(9)3-6(2-4)12(8,10)11/h1-3H,9H2

InChIKey

LWSVLHXMOMFFJM-UHFFFAOYSA-N

Compound name

3-amino-5-bromobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.92084 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]+	253.92812	134.0
[M+Na]+	275.91006	135.8
[M+NH4]+	270.95466	137.9
[M+K]+	291.88400	136.0
[M-H]-	251.91356	132.8
[M+Na-2H]-	273.89551	136.7
[M]+	252.92029	133.0
[M]-	252.92139	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.