CID 20481917

Pentane-3-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₁₁ClO₂S

SMILES

CCC(CC)S(=O)(=O)Cl

InChI

InChI=1S/C5H11ClO2S/c1-3-5(4-2)9(6,7)8/h5H,3-4H2,1-2H3

InChIKey

CVTFMAWCVJKVHP-UHFFFAOYSA-N

Compound name

pentane-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 170.01683 Da
Monoisotopic Mass: 2.2
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]+	171.02411	135.0
[M+Na]+	193.00605	145.2
[M+NH4]+	188.05065	143.0
[M+K]+	208.97999	138.5
[M-H]-	169.00955	133.5
[M+Na-2H]-	190.99150	137.6
[M]+	170.01628	136.6
[M]-	170.01738	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe