CID 96525

1,1-bis(2-chloroethyl)-2-sulfinylhydrazine

Structural Information

Molecular Formula

C₄H₈Cl₂N₂OS

SMILES

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

InChI

InChI=1S/C4H8Cl2N2OS/c5-1-3-8(4-2-6)7-10-9/h1-4H2

InChIKey

LEKIVDBGCPXMES-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-chloroethyl)-N-(sulfinylamino)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 201.97343 Da
Monoisotopic Mass: 2.5
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]+	202.98071	137.5
[M+Na]+	224.96265	145.7
[M-H]-	200.96615	140.4
[M+NH4]+	220.00725	159.0
[M+K]+	240.93659	142.6
[M+H-H2O]+	184.97069	133.7
[M+HCOO]-	246.97163	151.2
[M+CH3COO]-	260.98728	188.8
[M+Na-2H]-	222.94810	141.1
[M]+	201.97288	143.8
[M]-	201.97398	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe