CID 121826

84806-27-9

Structural Information

Molecular Formula
C6H3FN2O4S
SMILES
C1=C(C2=NON=C2C(=C1)S(=O)(=O)O)F
InChI
InChI=1S/C6H3FN2O4S/c7-3-1-2-4(14(10,11)12)6-5(3)8-13-9-6/h1-2H,(H,10,11,12)
InChIKey
BXHVBQRYTWNRSK-UHFFFAOYSA-N
Compound name
7-fluoro-2,1,3-benzoxadiazole-4-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

62
References

54753
Patents

217.97975 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98703 137.0
[M+Na]+ 240.96897 150.5
[M-H]- 216.97247 138.8
[M+NH4]+ 236.01357 154.8
[M+K]+ 256.94291 148.5
[M+H-H2O]+ 200.97701 131.1
[M+HCOO]- 262.97795 153.3
[M+CH3COO]- 276.99360 178.2
[M+Na-2H]- 238.95442 144.3
[M]+ 217.97920 142.4
[M]- 217.98030 142.4
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