CID 99110122

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 149.0
[M+Na]+ 264.980888 160.2
[M-H]- 240.984394 152.9
[M+NH4]+ 260.025493 166.4
[M+K]+ 280.954828 154.5
[M+H-H2O]+ 224.988930 142.9
[M+HCOO]- 286.989871 161.3
[M+CH3COO]- 301.005521 181.3
[M+Na-2H]- 262.966336 152.8
[M]+ 241.99112142 151.7
[M]- 241.99221858 151.7
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

patents stripe