CID 61332

1,1'-oxybis(4-isocyanatobenzene)

Structural Information

Molecular Formula
C14H8N2O3
SMILES
C1=CC(=CC=C1N=C=O)OC2=CC=C(C=C2)N=C=O
InChI
InChI=1S/C14H8N2O3/c17-9-15-11-1-5-13(6-2-11)19-14-7-3-12(4-8-14)16-10-18/h1-8H
InChIKey
KDLIYVDINLSKGR-UHFFFAOYSA-N
Compound name
1-isocyanato-4-(4-isocyanatophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5767
Patents

252.0535 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06078 152.0
[M+Na]+ 275.04272 160.7
[M-H]- 251.04622 161.9
[M+NH4]+ 270.08732 169.6
[M+K]+ 291.01666 157.8
[M+H-H2O]+ 235.05076 143.4
[M+HCOO]- 297.05170 182.9
[M+CH3COO]- 311.06735 200.9
[M+Na-2H]- 273.02817 160.4
[M]+ 252.05295 155.5
[M]- 252.05405 155.5
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