CID 2776156

215162-92-8

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1COC2=C1C=C(C=C2)N=C=O
InChI
InChI=1S/C9H7NO2/c11-6-10-8-1-2-9-7(5-8)3-4-12-9/h1-2,5H,3-4H2
InChIKey
WAIKTAFMGLVRJC-UHFFFAOYSA-N
Compound name
5-isocyanato-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

161.04768 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 128.6
[M+Na]+ 184.036898 137.6
[M-H]- 160.040404 135.4
[M+NH4]+ 179.081503 151.4
[M+K]+ 200.010838 136.8
[M+H-H2O]+ 144.044940 123.1
[M+HCOO]- 206.045881 154.9
[M+CH3COO]- 220.061531 179.2
[M+Na-2H]- 182.022346 137.7
[M]+ 161.04713142 130.2
[M]- 161.04822858 130.2
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

patents stripe