CID 3019006

(4-amino-2-chlorophenyl)(4-chlorophenyl)acetonitrile

Structural Information

Molecular Formula
C14H10Cl2N2
SMILES
C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2)N)Cl)Cl
InChI
InChI=1S/C14H10Cl2N2/c15-10-3-1-9(2-4-10)13(8-17)12-6-5-11(18)7-14(12)16/h1-7,13H,18H2
InChIKey
GJYVIYJLSWIBLM-UHFFFAOYSA-N
Compound name
2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

276.0221 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.029376 165.5
[M+Na]+ 299.011318 177.6
[M-H]- 275.014824 170.1
[M+NH4]+ 294.055923 180.9
[M+K]+ 314.985258 168.8
[M+H-H2O]+ 259.019360 153.9
[M+HCOO]- 321.020301 176.9
[M+CH3COO]- 335.035951 175.8
[M+Na-2H]- 296.996766 167.4
[M]+ 276.02155142 161.7
[M]- 276.02264858 161.7
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