CID 45791405

(2,2-dichlorocyclopropyl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₄H₅Cl₃O₂S

SMILES

C1C(C1(Cl)Cl)CS(=O)(=O)Cl

InChI

InChI=1S/C4H5Cl3O2S/c5-4(6)1-3(4)2-10(7,8)9/h3H,1-2H2

InChIKey

RIXYDQHHAVBYAC-UHFFFAOYSA-N

Compound name

(2,2-dichlorocyclopropyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 221.90758 Da
Monoisotopic Mass: 1.9
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]+	222.91486	128.7
[M+Na]+	244.89680	139.7
[M-H]-	220.90030	132.4
[M+NH4]+	239.94140	145.6
[M+K]+	260.87074	135.4
[M+H-H2O]+	204.90484	127.4
[M+HCOO]-	266.90578	132.6
[M+CH3COO]-	280.92143	184.5
[M+Na-2H]-	242.88225	133.4
[M]+	221.90703	135.4
[M]-	221.90813	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe