CID 137935931

2253630-24-7

Structural Information

Molecular Formula

C₇H₈ClNO₃S

SMILES

C1CC1C2=NOC(=C2)CS(=O)(=O)Cl

InChI

InChI=1S/C7H8ClNO3S/c8-13(10,11)4-6-3-7(9-12-6)5-1-2-5/h3,5H,1-2,4H2

InChIKey

WTDMAWQKOZZKFE-UHFFFAOYSA-N

Compound name

(3-cyclopropyl-1,2-oxazol-5-yl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.99135 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]+	221.998626	140.9
[M+Na]+	243.980568	153.0
[M-H]-	219.984074	148.5
[M+NH4]+	239.025173	155.2
[M+K]+	259.954508	149.8
[M+H-H2O]+	203.988610	135.5
[M+HCOO]-	265.989551	154.7
[M+CH3COO]-	280.005201	183.4
[M+Na-2H]-	241.966016	145.1
[M]+	220.99080142	149.2
[M]-	220.99189858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.