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 154.8
[M+Na]+ 298.94192 166.9
[M-H]- 274.94542 158.5
[M+NH4]+ 293.98652 171.5
[M+K]+ 314.91586 160.2
[M+H-H2O]+ 258.94996 149.4
[M+HCOO]- 320.95090 161.8
[M+CH3COO]- 334.96655 187.1
[M+Na-2H]- 296.92737 157.1
[M]+ 275.95215 158.7
[M]- 275.95325 158.7
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.