CID 11528335

3-isocyanatofuran

Structural Information

Molecular Formula
C5H3NO2
SMILES
C1=COC=C1N=C=O
InChI
InChI=1S/C5H3NO2/c7-4-6-5-1-2-8-3-5/h1-3H
InChIKey
ZICHEAWRQJUWKA-UHFFFAOYSA-N
Compound name
3-isocyanatofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

109.01638 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.02366 114.9
[M+Na]+ 132.00560 124.1
[M-H]- 108.00910 121.1
[M+NH4]+ 127.05020 138.6
[M+K]+ 147.97954 125.1
[M+H-H2O]+ 92.013640 109.8
[M+HCOO]- 154.01458 144.0
[M+CH3COO]- 168.03023 168.2
[M+Na-2H]- 129.99105 124.9
[M]+ 109.01583 117.2
[M]- 109.01693 117.2
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