CID 76276

Phosphine, dicyanophenyl-

Structural Information

Molecular Formula
C8H5N2P
SMILES
C1=CC=C(C=C1)P(C#N)C#N
InChI
InChI=1S/C8H5N2P/c9-6-11(7-10)8-4-2-1-3-5-8/h1-5H
InChIKey
ZPDFSXUZWXUNED-UHFFFAOYSA-N
Compound name
[cyano(phenyl)phosphanyl]formonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.01903 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02631 140.1
[M+Na]+ 183.00825 149.8
[M-H]- 159.01175 142.8
[M+NH4]+ 178.05285 154.0
[M+K]+ 198.98219 146.3
[M+H-H2O]+ 143.01629 124.1
[M+HCOO]- 205.01723 156.5
[M+CH3COO]- 219.03288 212.5
[M+Na-2H]- 180.99370 141.9
[M]+ 160.01848 132.4
[M]- 160.01958 132.4
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