CID 24691592

2-isocyanato-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1C(OC2=CC=CC=C21)N=C=O
InChI
InChI=1S/C9H7NO2/c11-6-10-9-5-7-3-1-2-4-8(7)12-9/h1-4,9H,5H2
InChIKey
HIEYGYKJZWUNFC-UHFFFAOYSA-N
Compound name
2-isocyanato-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.04768 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 128.6
[M+Na]+ 184.03690 137.6
[M-H]- 160.04040 135.4
[M+NH4]+ 179.08150 151.4
[M+K]+ 200.01084 136.8
[M+H-H2O]+ 144.04494 123.1
[M+HCOO]- 206.04588 154.9
[M+CH3COO]- 220.06153 179.2
[M+Na-2H]- 182.02235 137.7
[M]+ 161.04713 130.2
[M]- 161.04823 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

No patent data available for this compound.