CID 62898

2,3,5-trichloro-4-(propylsulfonyl)pyridine

Structural Information

Molecular Formula

C₈H₈Cl₃NO₂S

SMILES

CCCS(=O)(=O)C1=C(C(=NC=C1Cl)Cl)Cl

InChI

InChI=1S/C8H8Cl3NO2S/c1-2-3-15(13,14)7-5(9)4-12-8(11)6(7)10/h4H,2-3H2,1H3

InChIKey

HKOMCMOYGRBTIP-UHFFFAOYSA-N

Compound name

2,3,5-trichloro-4-propylsulfonylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 286.93414 Da
Monoisotopic Mass: 3.2
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]+	287.94142	161.6
[M+Na]+	309.92336	175.8
[M+NH4]+	304.96796	169.3
[M+K]+	325.89730	166.5
[M-H]-	285.92686	161.8
[M+Na-2H]-	307.90881	166.5
[M]+	286.93359	165.0
[M]-	286.93469	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe