CID 81167

6655-72-7

Structural Information

Molecular Formula

C₆H₅Cl₃N₂O₂S

SMILES

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

InChI

InChI=1S/C6H5Cl3N2O2S/c7-3-1-5(9)6(2-4(3)8)14(12,13)11-10/h1-2,11H,10H2

InChIKey

PDXFRYXZDLBGGJ-UHFFFAOYSA-N

Compound name

2,4,5-trichlorobenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 273.91373 Da
Monoisotopic Mass: 2.0
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]+	274.92101	150.5
[M+Na]+	296.90295	161.2
[M-H]-	272.90645	153.4
[M+NH4]+	291.94755	168.1
[M+K]+	312.87689	154.9
[M+H-H2O]+	256.91099	148.2
[M+HCOO]-	318.91193	156.1
[M+CH3COO]-	332.92758	195.3
[M+Na-2H]-	294.88840	153.0
[M]+	273.91318	153.6
[M]-	273.91428	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe