CID 54594458

1,2-oxazol-3-ylmethanesulfonyl chloride

Structural Information

Molecular Formula
C4H4ClNO3S
SMILES
C1=CON=C1CS(=O)(=O)Cl
InChI
InChI=1S/C4H4ClNO3S/c5-10(7,8)3-4-1-2-9-6-4/h1-2H,3H2
InChIKey
LZJDCFQEMYUREM-UHFFFAOYSA-N
Compound name
1,2-oxazol-3-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

180.96004 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.967316 130.6
[M+Na]+ 203.949258 141.9
[M-H]- 179.952764 134.7
[M+NH4]+ 198.993863 151.3
[M+K]+ 219.923198 140.4
[M+H-H2O]+ 163.957300 126.5
[M+HCOO]- 225.958241 145.1
[M+CH3COO]- 239.973891 171.4
[M+Na-2H]- 201.934706 136.6
[M]+ 180.95949142 136.7
[M]- 180.96058858 136.7
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