CID 2776475

4-(1h-pyrazol-1-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H7ClN2O2S
SMILES
C1=CN(N=C1)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-4-2-8(3-5-9)12-7-1-6-11-12/h1-7H
InChIKey
AHXRGFFTKHQGOE-UHFFFAOYSA-N
Compound name
4-pyrazol-1-ylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
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

literature stripe

Patent stripe

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