CID 25131538

3-chloro-5-(2-chloro-5-methoxyphenoxy)benzonitrile

Structural Information

Molecular Formula
C14H9Cl2NO2
SMILES
COC1=CC(=C(C=C1)Cl)OC2=CC(=CC(=C2)C#N)Cl
InChI
InChI=1S/C14H9Cl2NO2/c1-18-11-2-3-13(16)14(7-11)19-12-5-9(8-17)4-10(15)6-12/h2-7H,1H3
InChIKey
VZLPXEMEENMDAQ-UHFFFAOYSA-N
Compound name
3-chloro-5-(2-chloro-5-methoxyphenoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

293.00104 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.00832 161.7
[M+Na]+ 315.99026 175.5
[M-H]- 291.99376 167.3
[M+NH4]+ 311.03486 177.4
[M+K]+ 331.96420 167.9
[M+H-H2O]+ 275.99830 150.1
[M+HCOO]- 337.99924 174.1
[M+CH3COO]- 352.01489 210.2
[M+Na-2H]- 313.97571 165.2
[M]+ 293.00049 162.8
[M]- 293.00159 162.8
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