CID 5708354

N-(aminosulfonyl)-3-chloropropanimidamide hydrochloride

Structural Information

Molecular Formula

C₃H₈ClN₃O₂S

SMILES

C(CCl)/C(=N/S(=O)(=O)N)/N

InChI

InChI=1S/C3H8ClN3O2S/c4-2-1-3(5)7-10(6,8)9/h1-2H2,(H2,5,7)(H2,6,8,9)

InChIKey

QZFCNUHDVLMXDA-UHFFFAOYSA-N

Compound name

3-chloro-N'-sulfamoylpropanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 185.00258 Da
Monoisotopic Mass: -1.2
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]+	186.00986	134.5
[M+Na]+	207.99180	142.0
[M-H]-	183.99530	135.5
[M+NH4]+	203.03640	154.5
[M+K]+	223.96574	139.0
[M+H-H2O]+	167.99984	129.9
[M+HCOO]-	230.00078	150.6
[M+CH3COO]-	244.01643	183.6
[M+Na-2H]-	205.97725	137.8
[M]+	185.00203	135.0
[M]-	185.00313	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe