CID 68075

Benzofuroxan

Structural Information

Molecular Formula
C6H4N2O2
SMILES
C1=CC2=NO[N+](=C2C=C1)[O-]
InChI
InChI=1S/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4H
InChIKey
OKEAMBAZBICIFP-UHFFFAOYSA-N
Compound name
3-oxido-2,1,3-benzoxadiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

63
References

1896
Patents

136.02728 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03456 119.7
[M+Na]+ 159.01650 131.0
[M-H]- 135.02000 122.0
[M+NH4]+ 154.06110 139.6
[M+K]+ 174.99044 125.5
[M+H-H2O]+ 119.02454 118.3
[M+HCOO]- 181.02548 143.4
[M+CH3COO]- 195.04113 160.4
[M+Na-2H]- 157.00195 132.8
[M]+ 136.02673 120.6
[M]- 136.02783 120.6
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.