CID 87324198

2-bromoethane-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₂H₄BrFO₂S

SMILES

C(CBr)S(=O)(=O)F

InChI

InChI=1S/C2H4BrFO2S/c3-1-2-7(4,5)6/h1-2H2

InChIKey

OONHMYOIZLSCHQ-UHFFFAOYSA-N

Compound name

2-bromoethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 189.90994 Da
Monoisotopic Mass: 0.9
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]+	190.91722	119.0
[M+Na]+	212.89916	132.5
[M-H]-	188.90266	121.8
[M+NH4]+	207.94376	142.8
[M+K]+	228.87310	121.8
[M+H-H2O]+	172.90720	119.8
[M+HCOO]-	234.90814	134.9
[M+CH3COO]-	248.92379	175.4
[M+Na-2H]-	210.88461	126.4
[M]+	189.90939	139.0
[M]-	189.91049	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe