CID 67055

Einecs 204-283-3

Structural Information

Molecular Formula

C₆H₆Cl₂N₂O₃S

SMILES

C1=C(C(=CC(=C1Cl)S(=O)(=O)O)Cl)NN

InChI

InChI=1S/C6H6Cl2N2O3S/c7-3-2-6(14(11,12)13)4(8)1-5(3)10-9/h1-2,10H,9H2,(H,11,12,13)

InChIKey

TVSCIUWLNZAPPU-UHFFFAOYSA-N

Compound name

2,5-dichloro-4-hydrazinylbenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 255.94762 Da
Monoisotopic Mass: -1.1
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]+	256.95490	146.2
[M+Na]+	278.93684	156.6
[M-H]-	254.94034	148.9
[M+NH4]+	273.98144	163.9
[M+K]+	294.91078	150.6
[M+H-H2O]+	238.94488	143.3
[M+HCOO]-	300.94582	156.0
[M+CH3COO]-	314.96147	189.9
[M+Na-2H]-	276.92229	149.7
[M]+	255.94707	149.0
[M]-	255.94817	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe