CID 15376187

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

Structural Information

Molecular Formula
C4H5ClN2O3S
SMILES
CC1=C(C(=NO1)N)S(=O)(=O)Cl
InChI
InChI=1S/C4H5ClN2O3S/c1-2-3(11(5,8)9)4(6)7-10-2/h1H3,(H2,6,7)
InChIKey
XUNWQLVPDOGRMH-UHFFFAOYSA-N
Compound name
3-amino-5-methyl-1,2-oxazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.97095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97823 135.2
[M+Na]+ 218.96017 147.1
[M-H]- 194.96367 139.3
[M+NH4]+ 214.00477 155.1
[M+K]+ 234.93411 144.8
[M+H-H2O]+ 178.96821 131.0
[M+HCOO]- 240.96915 149.9
[M+CH3COO]- 254.98480 177.9
[M+Na-2H]- 216.94562 139.3
[M]+ 195.97040 140.1
[M]- 195.97150 140.1
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.