CID 10750417

6-chloropyridazine-3-sulfonyl fluoride

Structural Information

Molecular Formula

C₄H₂ClFN₂O₂S

SMILES

C1=CC(=NN=C1S(=O)(=O)F)Cl

InChI

InChI=1S/C4H2ClFN2O2S/c5-3-1-2-4(8-7-3)11(6,9)10/h1-2H

InChIKey

KQCBZJQYJGOUOC-UHFFFAOYSA-N

Compound name

6-chloropyridazine-3-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 195.95096 Da
Monoisotopic Mass: 0.9
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]+	196.958236	129.6
[M+Na]+	218.940178	141.7
[M-H]-	194.943684	130.4
[M+NH4]+	213.984783	147.9
[M+K]+	234.914118	137.8
[M+H-H2O]+	178.948220	123.5
[M+HCOO]-	240.949161	141.6
[M+CH3COO]-	254.964811	175.9
[M+Na-2H]-	216.925626	135.9
[M]+	195.95041142	132.7
[M]-	195.95150858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe