CID 334435

Nsc339612

Structural Information

Molecular Formula
C12H8N2O3
SMILES
CC(=O)OC1=CC=CC2=C1C=CC3=NON=C23
InChI
InChI=1S/C12H8N2O3/c1-7(15)16-11-4-2-3-9-8(11)5-6-10-12(9)14-17-13-10/h2-6H,1H3
InChIKey
HWAVHSKBMSFGII-UHFFFAOYSA-N
Compound name
benzo[g][2,1,3]benzoxadiazol-6-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06078 145.4
[M+Na]+ 251.04272 157.2
[M-H]- 227.04622 150.0
[M+NH4]+ 246.08732 163.7
[M+K]+ 267.01666 155.2
[M+H-H2O]+ 211.05076 138.1
[M+HCOO]- 273.05170 167.2
[M+CH3COO]- 287.06735 159.6
[M+Na-2H]- 249.02817 154.5
[M]+ 228.05295 151.4
[M]- 228.05405 151.4
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.