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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02301 146.7
[M+Na]+ 264.00495 157.7
[M-H]- 240.00845 150.4
[M+NH4]+ 259.04955 164.4
[M+K]+ 279.97889 150.7
[M+H-H2O]+ 224.01299 145.2
[M+HCOO]- 286.01393 166.1
[M+CH3COO]- 300.02958 180.8
[M+Na-2H]- 261.99040 155.8
[M]+ 241.01518 150.1
[M]- 241.01628 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe