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

21
Patents

180.96004 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.96732 130.6
[M+Na]+ 203.94926 141.9
[M-H]- 179.95276 134.7
[M+NH4]+ 198.99386 151.3
[M+K]+ 219.92320 140.4
[M+H-H2O]+ 163.95730 126.5
[M+HCOO]- 225.95824 145.1
[M+CH3COO]- 239.97389 171.4
[M+Na-2H]- 201.93471 136.6
[M]+ 180.95949 136.7
[M]- 180.96059 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