CID 6455164

2,3,3-trichloro-2-propenesulfonic acid

Structural Information

Molecular Formula

C₃H₃Cl₃O₃S

SMILES

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

InChI

InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)

InChIKey

GLDBPELSAPUAFU-UHFFFAOYSA-N

Compound name

2,3,3-trichloroprop-2-ene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1
Patents: 223.88684 Da
Monoisotopic Mass: 1.3
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]+	224.89412	133.0
[M+Na]+	246.87606	142.0
[M-H]-	222.87956	132.0
[M+NH4]+	241.92066	152.1
[M+K]+	262.85000	137.1
[M+H-H2O]+	206.88410	132.7
[M+HCOO]-	268.88504	134.1
[M+CH3COO]-	282.90069	178.6
[M+Na-2H]-	244.86151	134.5
[M]+	223.88629	135.9
[M]-	223.88739	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe