CID 332592

68291-99-6

Structural Information

Molecular Formula

C₈H₇FN₂O₃S

SMILES

C1=CC2=C(C=C1F)C(=NO2)CS(=O)(=O)N

InChI

InChI=1S/C8H7FN2O3S/c9-5-1-2-8-6(3-5)7(11-14-8)4-15(10,12)13/h1-3H,4H2,(H2,10,12,13)

InChIKey

WORADDHHZSLCQT-UHFFFAOYSA-N

Compound name

(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 230.01614 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]+	231.023416	142.6
[M+Na]+	253.005358	155.0
[M-H]-	229.008864	146.3
[M+NH4]+	248.049963	161.5
[M+K]+	268.979298	152.4
[M+H-H2O]+	213.013400	136.5
[M+HCOO]-	275.014341	161.2
[M+CH3COO]-	289.029991	186.1
[M+Na-2H]-	250.990806	149.1
[M]+	230.01559142	147.0
[M]-	230.01668858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe