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

17
Patents

180.96004 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.96732 130.1
[M+Na]+ 203.94926 142.2
[M-H]- 179.95276 134.5
[M+NH4]+ 198.99386 151.0
[M+K]+ 219.92320 140.6
[M+H-H2O]+ 163.95730 126.2
[M+HCOO]- 225.95824 144.5
[M+CH3COO]- 239.97389 172.5
[M+Na-2H]- 201.93471 135.4
[M]+ 180.95949 136.5
[M]- 180.96059 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