CID 71757988

2-cyano-2,2-dimethylethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₈ClNO₂S

SMILES

CC(C)(CS(=O)(=O)Cl)C#N

InChI

InChI=1S/C5H8ClNO2S/c1-5(2,3-7)4-10(6,8)9/h4H2,1-2H3

InChIKey

DOPCRGLDAAXZDQ-UHFFFAOYSA-N

Compound name

2-cyano-2-methylpropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 180.99643 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]+	182.00371	132.8
[M+Na]+	203.98565	142.3
[M+NH4]+	199.03025	136.9
[M+K]+	219.95959	133.9
[M-H]-	179.98915	124.0
[M+Na-2H]-	201.97110	133.8
[M]+	180.99588	131.4
[M]-	180.99698	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe