CID 18525696

857283-56-8

Structural Information

Molecular Formula

C₁₀H₈ClNO₃S

SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H8ClNO3S/c1-7-10(16(11,13)14)9(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

GXQBTNFENYVPFM-UHFFFAOYSA-N

Compound name

5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 256.99133 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]+	257.99861	151.7
[M+Na]+	279.98055	163.8
[M-H]-	255.98405	159.4
[M+NH4]+	275.02515	169.7
[M+K]+	295.95449	160.4
[M+H-H2O]+	239.98859	146.5
[M+HCOO]-	301.98953	165.9
[M+CH3COO]-	316.00518	187.3
[M+Na-2H]-	277.96600	155.8
[M]+	256.99078	158.6
[M]-	256.99188	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe