CID 514870

99902-88-2

Structural Information

Molecular Formula
C15H10Cl2N2O2
SMILES
CC(=O)NC1=CC(=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl)C#N
InChI
InChI=1S/C15H10Cl2N2O2/c1-9(20)19-11-2-5-15(10(6-11)8-18)21-12-3-4-13(16)14(17)7-12/h2-7H,1H3,(H,19,20)
InChIKey
GOYZICUSEIYKFO-UHFFFAOYSA-N
Compound name
N-[3-cyano-4-(3,4-dichlorophenoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.01193 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01921 172.9
[M+Na]+ 343.00115 185.4
[M-H]- 319.00465 178.3
[M+NH4]+ 338.04575 187.1
[M+K]+ 358.97509 177.7
[M+H-H2O]+ 303.00919 161.0
[M+HCOO]- 365.01013 185.1
[M+CH3COO]- 379.02578 216.6
[M+Na-2H]- 340.98660 174.8
[M]+ 320.01138 172.5
[M]- 320.01248 172.5
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.