CID 119030848

5-cyano-6-methylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₅ClN₂O₂S

SMILES

CC1=C(C=C(C=N1)S(=O)(=O)Cl)C#N

InChI

InChI=1S/C7H5ClN2O2S/c1-5-6(3-9)2-7(4-10-5)13(8,11)12/h2,4H,1H3

InChIKey

GOTJWEAPYXTIRB-UHFFFAOYSA-N

Compound name

5-cyano-6-methylpyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.97603 Da
Monoisotopic Mass: 1.0
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]+	216.98331	138.2
[M+Na]+	238.96525	150.9
[M+NH4]+	234.00985	142.7
[M+K]+	254.93919	141.0
[M-H]-	214.96875	131.7
[M+Na-2H]-	236.95070	141.9
[M]+	215.97548	138.1
[M]-	215.97658	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe