CID 3055902

2-benzoxazolemethanesulfonamide

Structural Information

Molecular Formula

C₈H₈N₂O₃S

SMILES

C1=CC=C2C(=C1)N=C(O2)CS(=O)(=O)N

InChI

InChI=1S/C8H8N2O3S/c9-14(11,12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H2,9,11,12)

InChIKey

OCBFIYONEZGJAF-UHFFFAOYSA-N

Compound name

1,3-benzoxazol-2-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 212.02556 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]+	213.032836	140.4
[M+Na]+	235.014778	152.0
[M-H]-	211.018284	145.2
[M+NH4]+	230.059383	159.8
[M+K]+	250.988718	149.9
[M+H-H2O]+	195.022820	135.1
[M+HCOO]-	257.023761	160.2
[M+CH3COO]-	271.039411	182.2
[M+Na-2H]-	233.000226	148.1
[M]+	212.02501142	145.5
[M]-	212.02610858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe