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

176
Patents

161.04768 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 130.7
[M+Na]+ 184.03690 143.0
[M+NH4]+ 179.08150 140.0
[M+K]+ 200.01084 138.3
[M-H]- 160.04040 134.8
[M+Na-2H]- 182.02235 136.7
[M]+ 161.04713 133.5
[M]- 161.04823 133.5
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