CID 2756590

2,1,3-benzoxadiazole-4-sulfonamide

Structural Information

Molecular Formula
C6H5N3O3S
SMILES
C1=CC2=NON=C2C(=C1)S(=O)(=O)N
InChI
InChI=1S/C6H5N3O3S/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H,(H2,7,10,11)
InChIKey
WQAIYIVOEJWVLC-UHFFFAOYSA-N
Compound name
2,1,3-benzoxadiazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

199.00516 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01244 135.8
[M+Na]+ 221.99438 148.3
[M-H]- 197.99788 139.5
[M+NH4]+ 217.03898 154.4
[M+K]+ 237.96832 146.5
[M+H-H2O]+ 182.00242 130.1
[M+HCOO]- 244.00336 154.9
[M+CH3COO]- 258.01901 179.0
[M+Na-2H]- 219.97983 144.2
[M]+ 199.00461 140.6
[M]- 199.00571 140.6
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