CID 137951681

2193058-76-1

Structural Information

Molecular Formula
C6H6ClNO5S
SMILES
COC(=O)C1=NOC(=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO5S/c1-12-6(9)5-2-4(13-8-5)3-14(7,10)11/h2H,3H2,1H3
InChIKey
KFEXWDOQVKNZEJ-UHFFFAOYSA-N
Compound name
methyl 5-(chlorosulfonylmethyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.96552 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.97280 143.7
[M+Na]+ 261.95474 154.6
[M-H]- 237.95824 148.0
[M+NH4]+ 256.99934 162.1
[M+K]+ 277.92868 153.4
[M+H-H2O]+ 221.96278 139.5
[M+HCOO]- 283.96372 157.3
[M+CH3COO]- 297.97937 182.0
[M+Na-2H]- 259.94019 147.6
[M]+ 238.96497 152.4
[M]- 238.96607 152.4
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

No patent data available for this compound.