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

84
Patents

248.93211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.93939 150.4
[M+Na]+ 271.92133 164.4
[M-H]- 247.92483 158.9
[M+NH4]+ 266.96593 170.8
[M+K]+ 287.89527 161.0
[M+H-H2O]+ 231.92937 146.9
[M+HCOO]- 293.93031 162.7
[M+CH3COO]- 307.94596 165.3
[M+Na-2H]- 269.90678 152.4
[M]+ 248.93156 158.8
[M]- 248.93266 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