CID 54594288

1315365-39-9

Structural Information

Molecular Formula
C9H8FN3O2S
SMILES
C1=CN(N=C1)C2=C(C=C(C=C2)S(=O)(=O)N)F
InChI
InChI=1S/C9H8FN3O2S/c10-8-6-7(16(11,14)15)2-3-9(8)13-5-1-4-12-13/h1-6H,(H2,11,14,15)
InChIKey
YYJUFVHNCUWKJB-UHFFFAOYSA-N
Compound name
3-fluoro-4-pyrazol-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.03212 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.03940 148.2
[M+Na]+ 264.02134 159.3
[M-H]- 240.02484 152.0
[M+NH4]+ 259.06594 165.2
[M+K]+ 279.99528 154.9
[M+H-H2O]+ 224.02938 140.3
[M+HCOO]- 286.03032 166.0
[M+CH3COO]- 300.04597 188.1
[M+Na-2H]- 262.00679 151.5
[M]+ 241.03157 148.7
[M]- 241.03267 148.7
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.