CID 43265685

N-ethyl-n-(propan-2-yl)sulfamoyl chloride

Structural Information

Molecular Formula

C₅H₁₂ClNO₂S

SMILES

CCN(C(C)C)S(=O)(=O)Cl

InChI

InChI=1S/C5H12ClNO2S/c1-4-7(5(2)3)10(6,8)9/h5H,4H2,1-3H3

InChIKey

XEKUITRZNQRMCB-UHFFFAOYSA-N

Compound name

N-ethyl-N-propan-2-ylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.02773 Da
Monoisotopic Mass: 1.5
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]+	186.035006	134.6
[M+Na]+	208.016948	142.7
[M-H]-	184.020454	137.0
[M+NH4]+	203.061553	156.3
[M+K]+	223.990888	141.3
[M+H-H2O]+	168.024990	130.9
[M+HCOO]-	230.025931	148.5
[M+CH3COO]-	244.041581	183.5
[M+Na-2H]-	206.002396	137.5
[M]+	185.02718142	140.1
[M]-	185.02827858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe