CID 122067

91366-65-3

Structural Information

Molecular Formula
C6H4FN3O3S
SMILES
C1=C(C2=NON=C2C(=C1)S(=O)(=O)N)F
InChI
InChI=1S/C6H4FN3O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H,(H2,8,11,12)
InChIKey
XROXHZMRDABMHS-UHFFFAOYSA-N
Compound name
7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

309
Patents

216.99574 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.00302 138.1
[M+Na]+ 239.98496 151.4
[M-H]- 215.98846 140.7
[M+NH4]+ 235.02956 156.1
[M+K]+ 255.95890 149.1
[M+H-H2O]+ 199.99300 131.6
[M+HCOO]- 261.99394 156.0
[M+CH3COO]- 276.00959 182.9
[M+Na-2H]- 237.97041 145.3
[M]+ 216.99519 142.2
[M]- 216.99629 142.2
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

patents stripe