CID 95013

Noname_477

Structural Information

Molecular Formula

C₆H₈NO₅PS

SMILES

C1=CC(=CC=C1P(=O)(O)O)S(=O)(=O)N

InChI

InChI=1S/C6H8NO5PS/c7-14(11,12)6-3-1-5(2-4-6)13(8,9)10/h1-4H,(H2,7,11,12)(H2,8,9,10)

InChIKey

KYCZQSQYGCJAPN-UHFFFAOYSA-N

Compound name

(4-sulfamoylphenyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.98608 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]+	237.99336	144.5
[M+Na]+	259.97530	152.3
[M-H]-	235.97880	144.3
[M+NH4]+	255.01990	160.9
[M+K]+	275.94924	149.4
[M+H-H2O]+	219.98334	136.9
[M+HCOO]-	281.98428	165.9
[M+CH3COO]-	295.99993	182.3
[M+Na-2H]-	257.96075	147.7
[M]+	236.98553	145.1
[M]-	236.98663	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe