CID 697935

19818-06-5

Structural Information

Molecular Formula

C₈H₇Cl₂NO₄S

SMILES

C1=CC(=C(C(=C1)Cl)S(=O)(=O)NCC(=O)O)Cl

InChI

InChI=1S/C8H7Cl2NO4S/c9-5-2-1-3-6(10)8(5)16(14,15)11-4-7(12)13/h1-3,11H,4H2,(H,12,13)

InChIKey

QRVMUGYJNLHEJY-UHFFFAOYSA-N

Compound name

2-[(2,6-dichlorophenyl)sulfonylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 3
Patents: 282.9473 Da
Monoisotopic Mass: 1.7
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]+	283.95458	151.2
[M+Na]+	305.93652	160.7
[M-H]-	281.94002	154.1
[M+NH4]+	300.98112	168.0
[M+K]+	321.91046	155.2
[M+H-H2O]+	265.94456	148.1
[M+HCOO]-	327.94550	159.6
[M+CH3COO]-	341.96115	192.2
[M+Na-2H]-	303.92197	154.3
[M]+	282.94675	156.4
[M]-	282.94785	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe