CID 114855310

2089258-77-3

Structural Information

Molecular Formula
C14H12Cl3NO
SMILES
CNCC1=C(C=C(C=C1)Cl)OC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl3NO/c1-18-8-9-2-3-10(15)6-13(9)19-14-7-11(16)4-5-12(14)17/h2-7,18H,8H2,1H3
InChIKey
WYDZHSDSEBAXNB-UHFFFAOYSA-N
Compound name
1-[4-chloro-2-(2,5-dichlorophenoxy)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.99844 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.00572 166.2
[M+Na]+ 337.98766 176.6
[M-H]- 313.99116 171.3
[M+NH4]+ 333.03226 182.4
[M+K]+ 353.96160 169.5
[M+H-H2O]+ 297.99570 161.1
[M+HCOO]- 359.99664 176.5
[M+CH3COO]- 374.01229 206.5
[M+Na-2H]- 335.97311 169.1
[M]+ 314.99789 171.2
[M]- 314.99899 171.2
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

No patent data available for this compound.