CID 13489811

2-(1,2-oxazol-5-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H6ClNO3S
SMILES
C1=CC=C(C(=C1)C2=CC=NO2)S(=O)(=O)Cl
InChI
InChI=1S/C9H6ClNO3S/c10-15(12,13)9-4-2-1-3-7(9)8-5-6-11-14-8/h1-6H
InChIKey
JMEYKLPFXXZHEE-UHFFFAOYSA-N
Compound name
2-(1,2-oxazol-5-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

242.9757 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.982976 147.4
[M+Na]+ 265.964918 159.1
[M-H]- 241.968424 154.9
[M+NH4]+ 261.009523 165.6
[M+K]+ 281.938858 155.9
[M+H-H2O]+ 225.972960 142.1
[M+HCOO]- 287.973901 162.0
[M+CH3COO]- 301.989551 183.2
[M+Na-2H]- 263.950366 152.6
[M]+ 242.97515142 153.5
[M]- 242.97624858 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe