CID 13460753

1,2-dibromoethane-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₂H₃Br₂FO₂S

SMILES

C(C(S(=O)(=O)F)Br)Br

InChI

InChI=1S/C2H3Br2FO2S/c3-1-2(4)8(5,6)7/h2H,1H2

InChIKey

NIJDNCLEFCJVRL-UHFFFAOYSA-N

Compound name

1,2-dibromoethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 267.82047 Da
Monoisotopic Mass: 1.8
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]+	268.82775	120.8
[M+Na]+	290.80969	133.5
[M-H]-	266.81319	124.8
[M+NH4]+	285.85429	141.5
[M+K]+	306.78363	117.5
[M+H-H2O]+	250.81773	129.0
[M+HCOO]-	312.81867	131.8
[M+CH3COO]-	326.83432	195.2
[M+Na-2H]-	288.79514	127.8
[M]+	267.81992	155.2
[M]-	267.82102	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe