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]+ 276.959976 154.8
[M+Na]+ 298.941918 166.9
[M-H]- 274.945424 158.5
[M+NH4]+ 293.986523 171.5
[M+K]+ 314.915858 160.2
[M+H-H2O]+ 258.949960 149.4
[M+HCOO]- 320.950901 161.8
[M+CH3COO]- 334.966551 187.1
[M+Na-2H]- 296.927366 157.1
[M]+ 275.95215142 158.7
[M]- 275.95324858 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.