CID 51978

2-(4-aminophenyl)-2-(4-fluorophenyl)acetonitrile

Structural Information

Molecular Formula
C14H11FN2
SMILES
C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)F)N
InChI
InChI=1S/C14H11FN2/c15-12-5-1-10(2-6-12)14(9-16)11-3-7-13(17)8-4-11/h1-8,14H,17H2
InChIKey
OGKREBZIRNUWFV-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-2-(4-fluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

226.09062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.097896 154.3
[M+Na]+ 249.079838 164.0
[M-H]- 225.083344 158.1
[M+NH4]+ 244.124443 169.8
[M+K]+ 265.053778 158.0
[M+H-H2O]+ 209.087880 139.9
[M+HCOO]- 271.088821 173.2
[M+CH3COO]- 285.104471 204.2
[M+Na-2H]- 247.065286 157.5
[M]+ 226.09007142 145.7
[M]- 226.09116858 145.7
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