CID 61394881

1248922-84-0

Structural Information

Molecular Formula
C9H6Cl2N2O2S
SMILES
C1=CC(=CC=C1C2=C(C=NN2)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2O2S/c10-7-3-1-6(2-4-7)9-8(5-12-13-9)16(11,14)15/h1-5H,(H,12,13)
InChIKey
MHPCFVVFUPJAQD-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9527 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.95998 157.6
[M+Na]+ 298.94192 171.6
[M+NH4]+ 293.98652 165.2
[M+K]+ 314.91586 164.7
[M-H]- 274.94542 158.7
[M+Na-2H]- 296.92737 164.1
[M]+ 275.95215 160.8
[M]- 275.95325 160.8
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

No patent data available for this compound.