CID 54593911

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

Structural Information

Molecular Formula
C4H3Cl2NO3S
SMILES
CC1=NOC(=C1S(=O)(=O)Cl)Cl
InChI
InChI=1S/C4H3Cl2NO3S/c1-2-3(11(6,8)9)4(5)10-7-2/h1H3
InChIKey
ALOGQQNILXOVHG-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-1,2-oxazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.92107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.92835 136.3
[M+Na]+ 237.91029 149.2
[M-H]- 213.91379 140.5
[M+NH4]+ 232.95489 156.4
[M+K]+ 253.88423 146.3
[M+H-H2O]+ 197.91833 133.2
[M+HCOO]- 259.91927 145.5
[M+CH3COO]- 273.93492 178.6
[M+Na-2H]- 235.89574 140.1
[M]+ 214.92052 143.6
[M]- 214.92162 143.6
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.