CID 24839928

90948-83-7

Structural Information

Molecular Formula

C₉H₁₇Cl₂N₃O₄S

SMILES

C/C(=N\NS(=O)(=O)N(CCCl)CCCl)/CCC(=O)O

InChI

InChI=1S/C9H17Cl2N3O4S/c1-8(2-3-9(15)16)12-13-19(17,18)14(6-4-10)7-5-11/h13H,2-7H2,1H3,(H,15,16)/b12-8+

InChIKey

AHPNIEOGXPHJNF-XYOKQWHBSA-N

Compound name

(4E)-4-[bis(2-chloroethyl)sulfamoylhydrazinylidene]pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 333.03168 Da
Monoisotopic Mass: 0.0
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]+	334.038956	169.7
[M+Na]+	356.020898	174.3
[M-H]-	332.024404	170.7
[M+NH4]+	351.065503	184.5
[M+K]+	371.994838	170.8
[M+H-H2O]+	316.028940	165.3
[M+HCOO]-	378.029881	179.2
[M+CH3COO]-	392.045531	212.1
[M+Na-2H]-	354.006346	170.4
[M]+	333.03113142	176.6
[M]-	333.03222858	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.