CID 67501

Benzofurazan

Structural Information

Molecular Formula
C6H4N2O
SMILES
C1=CC2=NON=C2C=C1
InChI
InChI=1S/C6H4N2O/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
InChIKey
AWBOSXFRPFZLOP-UHFFFAOYSA-N
Compound name
2,1,3-benzoxadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

73
References

24504
Patents

120.032364 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03964 117.2
[M+Na]+ 143.02158 132.2
[M+NH4]+ 138.06619 126.7
[M+K]+ 158.99552 127.7
[M-H]- 119.02509 120.2
[M+Na-2H]- 141.00703 125.5
[M]+ 120.03182 120.2
[M]- 120.03291 120.2
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