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

36532
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 116.0
[M+Na]+ 143.02158 127.4
[M-H]- 119.02509 119.2
[M+NH4]+ 138.06619 137.4
[M+K]+ 158.99552 126.7
[M+H-H2O]+ 103.02962 109.5
[M+HCOO]- 165.03056 140.4
[M+CH3COO]- 179.04622 131.8
[M+Na-2H]- 141.00703 128.2
[M]+ 120.03182 118.9
[M]- 120.03291 118.9
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