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

8
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 149.4
[M+Na]+ 303.92086 160.5
[M-H]- 279.92436 152.3
[M+NH4]+ 298.96546 165.3
[M+K]+ 319.89480 156.1
[M+H-H2O]+ 263.92890 146.0
[M+HCOO]- 325.92984 152.9
[M+CH3COO]- 339.94549 188.8
[M+Na-2H]- 301.90631 154.9
[M]+ 280.93109 153.6
[M]- 280.93219 153.6
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

patents stripe