CID 50896576

1,3-dimethyl-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₇ClN₂O₂S

SMILES

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

InChI

InChI=1S/C5H7ClN2O2S/c1-4-3-5(8(2)7-4)11(6,9)10/h3H,1-2H3

InChIKey

FYLQOSUXOCPQGB-UHFFFAOYSA-N

Compound name

2,5-dimethylpyrazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 193.99167 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]+	194.99895	135.9
[M+Na]+	216.98089	148.5
[M-H]-	192.98439	138.4
[M+NH4]+	212.02549	156.6
[M+K]+	232.95483	145.2
[M+H-H2O]+	176.98893	131.1
[M+HCOO]-	238.98987	149.2
[M+CH3COO]-	253.00552	177.4
[M+Na-2H]-	214.96634	138.9
[M]+	193.99112	141.5
[M]-	193.99222	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe