CID 54466539

1515988-59-6

Structural Information

Molecular Formula
C7H4ClNO4S
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)Cl)NC(=O)O2
InChI
InChI=1S/C7H4ClNO4S/c8-14(11,12)5-3-1-2-4-6(5)9-7(10)13-4/h1-3H,(H,9,10)
InChIKey
XFGXBOHPNDJUQI-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.95496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.96224 141.1
[M+Na]+ 255.94418 155.0
[M-H]- 231.94768 145.7
[M+NH4]+ 250.98878 160.6
[M+K]+ 271.91812 151.2
[M+H-H2O]+ 215.95222 137.6
[M+HCOO]- 277.95316 154.9
[M+CH3COO]- 291.96881 178.8
[M+Na-2H]- 253.92963 148.2
[M]+ 232.95441 148.6
[M]- 232.95551 148.6
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.