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

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 149.0
[M+Na]+ 264.98089 160.2
[M-H]- 240.98439 152.9
[M+NH4]+ 260.02549 166.4
[M+K]+ 280.95483 154.5
[M+H-H2O]+ 224.98893 142.9
[M+HCOO]- 286.98987 161.3
[M+CH3COO]- 301.00552 181.3
[M+Na-2H]- 262.96634 152.8
[M]+ 241.99112 151.7
[M]- 241.99222 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

No patent data available for this compound.