CID 75481504

3-nitro-4-(2-oxo-1,3-oxazolidin-3-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H7ClN2O6S
SMILES
C1COC(=O)N1C2=C(C=C(C=C2)S(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H7ClN2O6S/c10-19(16,17)6-1-2-7(8(5-6)12(14)15)11-3-4-18-9(11)13/h1-2,5H,3-4H2
InChIKey
OFCSSPXRRCHCKG-UHFFFAOYSA-N
Compound name
3-nitro-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.97134 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.97862 161.7
[M+Na]+ 328.96056 170.0
[M-H]- 304.96406 168.7
[M+NH4]+ 324.00516 175.9
[M+K]+ 344.93450 163.5
[M+H-H2O]+ 288.96860 161.0
[M+HCOO]- 350.96954 174.5
[M+CH3COO]- 364.98519 188.7
[M+Na-2H]- 326.94601 167.1
[M]+ 305.97079 164.3
[M]- 305.97189 164.3
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.