CID 138228

5-methoxybenzofurazan

Structural Information

Molecular Formula
C7H6N2O2
SMILES
COC1=CC2=NON=C2C=C1
InChI
InChI=1S/C7H6N2O2/c1-10-5-2-3-6-7(4-5)9-11-8-6/h2-4H,1H3
InChIKey
VQKJLIJNBRMZJE-UHFFFAOYSA-N
Compound name
5-methoxy-2,1,3-benzoxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

150.04292 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05020 124.0
[M+Na]+ 173.03214 135.8
[M-H]- 149.03564 127.5
[M+NH4]+ 168.07674 144.5
[M+K]+ 189.00608 135.3
[M+H-H2O]+ 133.04018 117.4
[M+HCOO]- 195.04112 148.3
[M+CH3COO]- 209.05677 139.6
[M+Na-2H]- 171.01759 134.9
[M]+ 150.04237 129.1
[M]- 150.04347 129.1
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