CID 296057

17641-40-6

Structural Information

Molecular Formula

C₈H₁₀N₂O₅S

SMILES

C1=CC(=CC=C1OCC(=O)O)S(=O)(=O)NN

InChI

InChI=1S/C8H10N2O5S/c9-10-16(13,14)7-3-1-6(2-4-7)15-5-8(11)12/h1-4,10H,5,9H2,(H,11,12)

InChIKey

XVCATKOOMCFPIY-UHFFFAOYSA-N

Compound name

2-[4-(hydrazinesulfonyl)phenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 246.03104 Da
Monoisotopic Mass: -3.2
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]+	247.03832	148.3
[M+Na]+	269.02026	154.8
[M-H]-	245.02376	150.1
[M+NH4]+	264.06486	163.9
[M+K]+	284.99420	152.3
[M+H-H2O]+	229.02830	141.7
[M+HCOO]-	291.02924	166.5
[M+CH3COO]-	305.04489	189.5
[M+Na-2H]-	267.00571	152.5
[M]+	246.03049	149.6
[M]-	246.03159	149.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.