CID 16767344

924865-06-5

Structural Information

Molecular Formula

C₈H₆ClNO₄S

SMILES

CC1=C(C=C(O1)C2=CC=NO2)S(=O)(=O)Cl

InChI

InChI=1S/C8H6ClNO4S/c1-5-8(15(9,11)12)4-7(13-5)6-2-3-10-14-6/h2-4H,1H3

InChIKey

UESHFPJLRRFUDQ-UHFFFAOYSA-N

Compound name

2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 246.97061 Da
Monoisotopic Mass: 1.6
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]+	247.97789	148.9
[M+Na]+	269.95983	162.2
[M+NH4]+	265.00443	156.3
[M+K]+	285.93377	159.5
[M-H]-	245.96333	152.5
[M+Na-2H]-	267.94528	154.0
[M]+	246.97006	152.6
[M]-	246.97116	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe