CID 124252293

6-methylpyridazine-3-sulfonyl fluoride

Structural Information

Molecular Formula

C₅H₅FN₂O₂S

SMILES

CC1=NN=C(C=C1)S(=O)(=O)F

InChI

InChI=1S/C5H5FN2O2S/c1-4-2-3-5(8-7-4)11(6,9)10/h2-3H,1H3

InChIKey

DIEFYOBNNNSHCA-UHFFFAOYSA-N

Compound name

6-methylpyridazine-3-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.00557 Da
Monoisotopic Mass: 0.4
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]+	177.012846	129.8
[M+Na]+	198.994788	141.0
[M-H]-	174.998294	130.5
[M+NH4]+	194.039393	148.1
[M+K]+	214.968728	138.4
[M+H-H2O]+	159.002830	122.8
[M+HCOO]-	221.003771	146.0
[M+CH3COO]-	235.019421	175.0
[M+Na-2H]-	196.980236	135.9
[M]+	176.00502142	131.5
[M]-	176.00611858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.