CID 4247643

2751-27-1

Structural Information

Molecular Formula

C₆H₇IN₂O₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)NN)I

InChI

InChI=1S/C6H7IN2O2S/c7-5-1-3-6(4-2-5)12(10,11)9-8/h1-4,9H,8H2

InChIKey

IAXWCGDMDZJFHA-UHFFFAOYSA-N

Compound name

4-iodobenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 297.9273 Da
Monoisotopic Mass: 0.5
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]+	298.93458	153.8
[M+Na]+	320.91652	154.8
[M-H]-	296.92002	150.3
[M+NH4]+	315.96112	167.8
[M+K]+	336.89046	157.5
[M+H-H2O]+	280.92456	143.9
[M+HCOO]-	342.92550	168.8
[M+CH3COO]-	356.94115	190.5
[M+Na-2H]-	318.90197	146.4
[M]+	297.92675	150.6
[M]-	297.92785	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe