CID 122163905

4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C6H5Cl2NO3S
SMILES
C1CC1C2=NOC(=C2Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H5Cl2NO3S/c7-4-5(3-1-2-3)9-12-6(4)13(8,10)11/h3H,1-2H2
InChIKey
OFLNGXQJMWFULJ-UHFFFAOYSA-N
Compound name
4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.93672 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.943996 140.9
[M+Na]+ 263.925938 153.7
[M-H]- 239.929444 148.0
[M+NH4]+ 258.970543 154.8
[M+K]+ 279.899878 149.7
[M+H-H2O]+ 223.933980 136.3
[M+HCOO]- 285.934921 149.8
[M+CH3COO]- 299.950571 186.2
[M+Na-2H]- 261.911386 144.1
[M]+ 240.93617142 149.6
[M]- 240.93726858 149.6
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.