CID 55273569

98566-96-2

Structural Information

Molecular Formula

C₇H₆F₂O₂S

SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)F

InChI

InChI=1S/C7H6F2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3

InChIKey

YWDLFHAWBWCNTB-UHFFFAOYSA-N

Compound name

5-fluoro-2-methylbenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 192.00566 Da
Monoisotopic Mass: 2.2
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]+	193.012936	130.7
[M+Na]+	214.994878	141.8
[M-H]-	190.998384	133.0
[M+NH4]+	210.039483	151.3
[M+K]+	230.968818	138.7
[M+H-H2O]+	175.002920	124.2
[M+HCOO]-	237.003861	147.8
[M+CH3COO]-	251.019511	179.6
[M+Na-2H]-	212.980326	134.8
[M]+	192.00511142	131.5
[M]-	192.00620858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe