CID 24229467

916766-81-9

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₂S

SMILES

CN1C=CC(=N1)C2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H9ClN2O2S/c1-13-7-6-10(12-13)8-2-4-9(5-3-8)16(11,14)15/h2-7H,1H3

InChIKey

PXFXKTMOZHYJJU-UHFFFAOYSA-N

Compound name

4-(1-methylpyrazol-3-yl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 256.00732 Da
Monoisotopic Mass: 1.9
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]+	257.01460	154.4
[M+Na]+	278.99654	168.4
[M+NH4]+	274.04114	162.3
[M+K]+	294.97048	161.7
[M-H]-	255.00004	156.2
[M+Na-2H]-	276.98199	161.6
[M]+	256.00677	157.7
[M]-	256.00787	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe