CID 2735839

1008-92-0

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1C(OC2=CC=CC=C2O1)C#N
InChI
InChI=1S/C9H7NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,6H2
InChIKey
DNLJHDDOVWQQEW-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

66
Patents

161.04768 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 136.6
[M+Na]+ 184.03690 149.8
[M+NH4]+ 179.08150 142.6
[M+K]+ 200.01084 140.5
[M-H]- 160.04040 134.4
[M+Na-2H]- 182.02235 139.9
[M]+ 161.04713 137.2
[M]- 161.04823 137.2
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