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]+ 242.039396 148.2
[M+Na]+ 264.021338 159.3
[M-H]- 240.024844 152.0
[M+NH4]+ 259.065943 165.2
[M+K]+ 279.995278 154.9
[M+H-H2O]+ 224.029380 140.3
[M+HCOO]- 286.030321 166.0
[M+CH3COO]- 300.045971 188.1
[M+Na-2H]- 262.006786 151.5
[M]+ 241.03157142 148.7
[M]- 241.03266858 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.