CID 137963798

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

Structural Information

Molecular Formula
C9H6ClNO3S
SMILES
C1=CC=C(C=C1)C2=NC=C(O2)S(=O)(=O)Cl
InChI
InChI=1S/C9H6ClNO3S/c10-15(12,13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H
InChIKey
MWQSCIWHFJDERO-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-oxazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.9757 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.98298 148.5
[M+Na]+ 265.96492 162.5
[M+NH4]+ 261.00952 156.8
[M+K]+ 281.93886 156.5
[M-H]- 241.96842 152.0
[M+Na-2H]- 263.95037 155.8
[M]+ 242.97515 152.3
[M]- 242.97625 152.3
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

No patent data available for this compound.