CID 2759463

1-isocyano-4-phenoxybenzene

Structural Information

Molecular Formula
C13H9NO
SMILES
[C-]#[N+]C1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C13H9NO/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h2-10H
InChIKey
SJKLDKFPOFXLDP-UHFFFAOYSA-N
Compound name
1-isocyano-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

195.06842 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.075696 150.1
[M+Na]+ 218.057638 159.9
[M-H]- 194.061144 154.3
[M+NH4]+ 213.102243 166.3
[M+K]+ 234.031578 149.5
[M+H-H2O]+ 178.065680 141.2
[M+HCOO]- 240.066621 170.1
[M+CH3COO]- 254.082271 187.0
[M+Na-2H]- 216.043086 157.3
[M]+ 195.06787142 142.0
[M]- 195.06896858 142.0
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