CID 84806054

942199-58-8

Structural Information

Molecular Formula

C₇H₅Cl₂FO₃S

SMILES

COC1=CC(=C(C=C1Cl)F)S(=O)(=O)Cl

InChI

InChI=1S/C7H5Cl2FO3S/c1-13-6-3-7(14(9,11)12)5(10)2-4(6)8/h2-3H,1H3

InChIKey

LJJKNXDUARKHSK-UHFFFAOYSA-N

Compound name

4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 257.93204 Da
Monoisotopic Mass: 2.6
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]+	258.93932	141.2
[M+Na]+	280.92126	153.7
[M-H]-	256.92476	144.8
[M+NH4]+	275.96586	160.7
[M+K]+	296.89520	148.6
[M+H-H2O]+	240.92930	137.6
[M+HCOO]-	302.93024	150.1
[M+CH3COO]-	316.94589	188.6
[M+Na-2H]-	278.90671	144.6
[M]+	257.93149	147.8
[M]-	257.93259	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe