CID 122163348

2-(3-methyl-3h-diazirin-3-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₇ClN₂O₂S

SMILES

CC1(N=N1)CCS(=O)(=O)Cl

InChI

InChI=1S/C4H7ClN2O2S/c1-4(6-7-4)2-3-10(5,8)9/h2-3H2,1H3

InChIKey

DIYWZDFJXMHDLU-UHFFFAOYSA-N

Compound name

2-(3-methyldiazirin-3-yl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 181.99167 Da
Monoisotopic Mass: 1.0
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]+	182.99895	141.0
[M+Na]+	204.98089	153.9
[M+NH4]+	200.02549	150.0
[M+K]+	220.95483	146.7
[M-H]-	180.98439	146.5
[M+Na-2H]-	202.96634	149.2
[M]+	181.99112	146.3
[M]-	181.99222	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe