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]+ 241.94400 140.9
[M+Na]+ 263.92594 153.7
[M-H]- 239.92944 148.0
[M+NH4]+ 258.97054 154.8
[M+K]+ 279.89988 149.7
[M+H-H2O]+ 223.93398 136.3
[M+HCOO]- 285.93492 149.8
[M+CH3COO]- 299.95057 186.2
[M+Na-2H]- 261.91139 144.1
[M]+ 240.93617 149.6
[M]- 240.93727 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.