CID 79853

5791-05-9

Structural Information

Molecular Formula

C₇H₃Cl₂NO₄S

SMILES

C1=C2C(=CC(=C1Cl)S(=O)(=O)Cl)OC(=O)N2

InChI

InChI=1S/C7H3Cl2NO4S/c8-3-1-4-5(14-7(11)10-4)2-6(3)15(9,12)13/h1-2H,(H,10,11)

InChIKey

BILROERYVIUOEP-UHFFFAOYSA-N

Compound name

5-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 266.916 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.92328	151.4
[M+Na]+	289.90522	165.7
[M+NH4]+	284.94982	158.8
[M+K]+	305.87916	160.1
[M-H]-	265.90872	152.0
[M+Na-2H]-	287.89067	155.4
[M]+	266.91545	154.6
[M]-	266.91655	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe