CID 121552627

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

Structural Information

Molecular Formula
C4H4ClNO3S
SMILES
CC1=NC=C(O1)S(=O)(=O)Cl
InChI
InChI=1S/C4H4ClNO3S/c1-3-6-2-4(9-3)10(5,7)8/h2H,1H3
InChIKey
FEVFWCGDUCQXQJ-UHFFFAOYSA-N
Compound name
2-methyl-1,3-oxazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

180.96004 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.967316 130.1
[M+Na]+ 203.949258 142.2
[M-H]- 179.952764 134.5
[M+NH4]+ 198.993863 151.0
[M+K]+ 219.923198 140.6
[M+H-H2O]+ 163.957300 126.2
[M+HCOO]- 225.958241 144.5
[M+CH3COO]- 239.973891 172.5
[M+Na-2H]- 201.934706 135.4
[M]+ 180.95949142 136.5
[M]- 180.96058858 136.5
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