CID 2723752

61437-85-2

Structural Information

Molecular Formula
C15H12Cl2N2
SMILES
CC1=CC(=C(C=C1N)Cl)C(C#N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H12Cl2N2/c1-9-6-12(14(17)7-15(9)19)13(8-18)10-2-4-11(16)5-3-10/h2-7,13H,19H2,1H3
InChIKey
SCNVPMWFNDBBQS-UHFFFAOYSA-N
Compound name
2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

290.03775 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04503 169.4
[M+Na]+ 313.02697 181.8
[M-H]- 289.03047 174.2
[M+NH4]+ 308.07157 184.6
[M+K]+ 329.00091 173.0
[M+H-H2O]+ 273.03501 157.8
[M+HCOO]- 335.03595 180.5
[M+CH3COO]- 349.05160 213.7
[M+Na-2H]- 311.01242 170.2
[M]+ 290.03720 166.3
[M]- 290.03830 166.3
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