CID 82276165

1368799-14-7

Structural Information

Molecular Formula

C₇H₃ClFNO₄S

SMILES

C1=C2C(=CC(=C1F)S(=O)(=O)Cl)OC(=O)N2

InChI

InChI=1S/C7H3ClFNO4S/c8-15(12,13)6-2-5-4(1-3(6)9)10-7(11)14-5/h1-2H,(H,10,11)

InChIKey

AVWYCZNTEYZBFK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 250.94554 Da
Monoisotopic Mass: 1.3
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]+	251.95282	142.5
[M+Na]+	273.93476	157.2
[M-H]-	249.93826	146.0
[M+NH4]+	268.97936	161.4
[M+K]+	289.90870	153.0
[M+H-H2O]+	233.94280	138.2
[M+HCOO]-	295.94374	155.3
[M+CH3COO]-	309.95939	182.7
[M+Na-2H]-	271.92021	148.5
[M]+	250.94499	149.4
[M]-	250.94609	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe