CID 105503863

1-phenyl-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H7ClN2O2S
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H
InChIKey
QJYPNCIPUUCDFM-UHFFFAOYSA-N
Compound name
2-phenylpyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99167 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.998946 148.9
[M+Na]+ 264.980888 160.6
[M-H]- 240.984394 154.2
[M+NH4]+ 260.025493 167.1
[M+K]+ 280.954828 155.7
[M+H-H2O]+ 224.988930 142.5
[M+HCOO]- 286.989871 162.7
[M+CH3COO]- 301.005521 183.8
[M+Na-2H]- 262.966336 153.0
[M]+ 241.99112142 153.4
[M]- 241.99221858 153.4
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.