CID 13839588

31591-39-6

Structural Information

Molecular Formula

C₇H₆N₂O₄S

SMILES

C1=CC2=C(C=C1S(=O)(=O)N)NC(=O)O2

InChI

InChI=1S/C7H6N2O4S/c8-14(11,12)4-1-2-6-5(3-4)9-7(10)13-6/h1-3H,(H,9,10)(H2,8,11,12)

InChIKey

ZLNHEZVPPXSILS-UHFFFAOYSA-N

Compound name

2-oxo-3H-1,3-benzoxazole-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 214.00482 Da
Monoisotopic Mass: -0.3
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]+	215.01210	139.0
[M+Na]+	236.99404	151.4
[M-H]-	212.99754	142.9
[M+NH4]+	232.03864	157.7
[M+K]+	252.96798	148.5
[M+H-H2O]+	197.00208	134.2
[M+HCOO]-	259.00302	157.8
[M+CH3COO]-	273.01867	179.5
[M+Na-2H]-	234.97949	146.3
[M]+	214.00427	143.0
[M]-	214.00537	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe