CID 71757695

2-oxo-3,4-dihydro-2h-1,3-benzoxazine-6-sulfonyl chloride

Structural Information

Molecular Formula
C8H6ClNO4S
SMILES
C1C2=C(C=CC(=C2)S(=O)(=O)Cl)OC(=O)N1
InChI
InChI=1S/C8H6ClNO4S/c9-15(12,13)6-1-2-7-5(3-6)4-10-8(11)14-7/h1-3H,4H2,(H,10,11)
InChIKey
BFJZXQYCVVUZGT-UHFFFAOYSA-N
Compound name
2-oxo-3,4-dihydro-1,3-benzoxazine-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.97061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97789 144.3
[M+Na]+ 269.95983 154.6
[M-H]- 245.96333 147.4
[M+NH4]+ 265.00443 160.9
[M+K]+ 285.93377 151.0
[M+H-H2O]+ 229.96787 139.9
[M+HCOO]- 291.96881 152.9
[M+CH3COO]- 305.98446 182.9
[M+Na-2H]- 267.94528 151.1
[M]+ 246.97006 147.3
[M]- 246.97116 147.3
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.