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

16
Patents

276.0221 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02938 165.5
[M+Na]+ 299.01132 177.6
[M-H]- 275.01482 170.1
[M+NH4]+ 294.05592 180.9
[M+K]+ 314.98526 168.8
[M+H-H2O]+ 259.01936 153.9
[M+HCOO]- 321.02030 176.9
[M+CH3COO]- 335.03595 175.8
[M+Na-2H]- 296.99677 167.4
[M]+ 276.02155 161.7
[M]- 276.02265 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