CID 53212015

1282218-14-7

Structural Information

Molecular Formula

C₈H₆ClNO₃S₂

SMILES

CC1=NOC(=C1)C2=CC=C(S2)S(=O)(=O)Cl

InChI

InChI=1S/C8H6ClNO3S2/c1-5-4-6(13-10-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3

InChIKey

KYTGBJPEUYAGNH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 262.94775 Da
Monoisotopic Mass: 2.5
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]+	263.95503	156.5
[M+Na]+	285.93697	169.0
[M+NH4]+	280.98157	164.7
[M+K]+	301.91091	163.3
[M-H]-	261.94047	159.4
[M+Na-2H]-	283.92242	161.1
[M]+	262.94720	160.3
[M]-	262.94830	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe