CID 2759465

1-isocyano-2-phenylbenzene

Structural Information

Molecular Formula
C13H9N
SMILES
[C-]#[N+]C1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C13H9N/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H
InChIKey
MMHFQKUQSDMGSY-UHFFFAOYSA-N
Compound name
1-isocyano-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

179.0735 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08078 141.7
[M+Na]+ 202.06272 158.3
[M+NH4]+ 197.10732 148.9
[M+K]+ 218.03666 147.8
[M-H]- 178.06622 140.9
[M+Na-2H]- 200.04817 149.8
[M]+ 179.07295 143.3
[M]- 179.07405 143.3
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