CID 2776411

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

Structural Information

Molecular Formula
C7H4ClNO3S2
SMILES
C1=C(SC(=C1)S(=O)(=O)Cl)C2=CN=CO2
InChI
InChI=1S/C7H4ClNO3S2/c8-14(10,11)7-2-1-6(13-7)5-3-9-4-12-5/h1-4H
InChIKey
MAGTZUMWQUDWAH-UHFFFAOYSA-N
Compound name
5-(1,3-oxazol-5-yl)thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

248.93211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.939386 150.4
[M+Na]+ 271.921328 164.4
[M-H]- 247.924834 158.9
[M+NH4]+ 266.965933 170.8
[M+K]+ 287.895268 161.0
[M+H-H2O]+ 231.929370 146.9
[M+HCOO]- 293.930311 162.7
[M+CH3COO]- 307.945961 165.3
[M+Na-2H]- 269.906776 152.4
[M]+ 248.93156142 158.8
[M]- 248.93265858 158.8
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