CID 214677

2-(4-amino-2-chlorophenyl)-2-phenylpropanenitrile

Structural Information

Molecular Formula
C15H13ClN2
SMILES
CC(C#N)(C1=CC=CC=C1)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C15H13ClN2/c1-15(10-17,11-5-3-2-4-6-11)13-8-7-12(18)9-14(13)16/h2-9H,18H2,1H3
InChIKey
CRLLILZMYVHZAQ-UHFFFAOYSA-N
Compound name
2-(4-amino-2-chlorophenyl)-2-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07672 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.083996 166.7
[M+Na]+ 279.065938 177.6
[M-H]- 255.069444 171.7
[M+NH4]+ 274.110543 182.2
[M+K]+ 295.039878 169.9
[M+H-H2O]+ 239.073980 154.0
[M+HCOO]- 301.074921 181.6
[M+CH3COO]- 315.090571 207.4
[M+Na-2H]- 277.051386 170.8
[M]+ 256.07617142 161.5
[M]- 256.07726858 161.5
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

No patent data available for this compound.