CID 57806233

935859-71-5

Structural Information

Molecular Formula

C₈H₇N₃O₄S

SMILES

CS(=O)(=O)C1=NN2C=CC=CC2=C1[N+](=O)[O-]

InChI

InChI=1S/C8H7N3O4S/c1-16(14,15)8-7(11(12)13)6-4-2-3-5-10(6)9-8/h2-5H,1H3

InChIKey

GGABERHEGSJSIZ-UHFFFAOYSA-N

Compound name

2-methylsulfonyl-3-nitropyrazolo[1,5-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 241.01573 Da
Monoisotopic Mass: 0.5
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]+	242.02301	144.6
[M+Na]+	264.00495	157.4
[M+NH4]+	259.04955	151.4
[M+K]+	279.97889	155.7
[M-H]-	240.00845	145.3
[M+Na-2H]-	261.99040	149.6
[M]+	241.01518	146.8
[M]-	241.01628	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe