CID 16228476

6-chloro-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-7-sulfonyl chloride

Structural Information

Molecular Formula
C8H5Cl2NO4S
SMILES
C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C8H5Cl2NO4S/c9-4-1-5-6(15-3-8(12)11-5)2-7(4)16(10,13)14/h1-2H,3H2,(H,11,12)
InChIKey
YIYLLOZTGTXGTM-UHFFFAOYSA-N
Compound name
6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

280.93164 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.93892 154.3
[M+Na]+ 303.92086 167.7
[M+NH4]+ 298.96546 161.8
[M+K]+ 319.89480 160.5
[M-H]- 279.92436 155.3
[M+Na-2H]- 301.90631 157.8
[M]+ 280.93109 157.5
[M]- 280.93219 157.5
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

patents stripe