CID 2776141

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

Structural Information

Molecular Formula
C4H4ClNO3S
SMILES
CC1=C(C=NO1)S(=O)(=O)Cl
InChI
InChI=1S/C4H4ClNO3S/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3
InChIKey
STYUNYVEEFPQMF-UHFFFAOYSA-N
Compound name
5-methyl-1,2-oxazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

180.96004 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe