CID 16218363

882739-31-3

Structural Information

Molecular Formula

C₃H₅Cl₃N₂O₄S

SMILES

C(C(Cl)(Cl)Cl)OS(=O)(=O)NC(=O)N

InChI

InChI=1S/C3H5Cl3N2O4S/c4-3(5,6)1-12-13(10,11)8-2(7)9/h1H2,(H3,7,8,9)

InChIKey

QYUJBOJJEGIBCJ-UHFFFAOYSA-N

Compound name

2,2,2-trichloroethyl N-carbamoylsulfamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.90356 Da
Monoisotopic Mass: 0.4
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]+	270.910836	147.2
[M+Na]+	292.892778	155.1
[M-H]-	268.896284	146.9
[M+NH4]+	287.937383	164.2
[M+K]+	308.866718	151.0
[M+H-H2O]+	252.900820	145.8
[M+HCOO]-	314.901761	150.7
[M+CH3COO]-	328.917411	190.8
[M+Na-2H]-	290.878226	150.8
[M]+	269.90301142	150.7
[M]-	269.90410858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe