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]+ 242.99895 148.9
[M+Na]+ 264.98089 160.6
[M-H]- 240.98439 154.2
[M+NH4]+ 260.02549 167.1
[M+K]+ 280.95483 155.7
[M+H-H2O]+ 224.98893 142.5
[M+HCOO]- 286.98987 162.7
[M+CH3COO]- 301.00552 183.8
[M+Na-2H]- 262.96634 153.0
[M]+ 241.99112 153.4
[M]- 241.99222 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.