CID 334434

Nsc339611

Structural Information

Molecular Formula
C11H8N2O2
SMILES
COC1=CC=CC2=C1C=CC3=NON=C23
InChI
InChI=1S/C11H8N2O2/c1-14-10-4-2-3-8-7(10)5-6-9-11(8)13-15-12-9/h2-6H,1H3
InChIKey
PTNMUGDZJJUIGX-UHFFFAOYSA-N
Compound name
6-methoxybenzo[g][2,1,3]benzoxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.05858 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06586 138.0
[M+Na]+ 223.04780 150.3
[M-H]- 199.05130 142.5
[M+NH4]+ 218.09240 157.5
[M+K]+ 239.02174 148.1
[M+H-H2O]+ 183.05584 130.8
[M+HCOO]- 245.05678 160.7
[M+CH3COO]- 259.07243 152.8
[M+Na-2H]- 221.03325 148.7
[M]+ 200.05803 143.6
[M]- 200.05913 143.6
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.