CID 63457749

2089277-17-6

Structural Information

Molecular Formula
C14H13Cl2NO
SMILES
CC1=C(C=CC(=C1)OC2=C(C=CC(=C2)Cl)CN)Cl
InChI
InChI=1S/C14H13Cl2NO/c1-9-6-12(4-5-13(9)16)18-14-7-11(15)3-2-10(14)8-17/h2-7H,8,17H2,1H3
InChIKey
LIVQMOJBTZVVDO-UHFFFAOYSA-N
Compound name
[4-chloro-2-(4-chloro-3-methylphenoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0374 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.044676 160.6
[M+Na]+ 304.026618 171.3
[M-H]- 280.030124 166.7
[M+NH4]+ 299.071223 178.0
[M+K]+ 320.000558 164.4
[M+H-H2O]+ 264.034660 155.1
[M+HCOO]- 326.035601 175.9
[M+CH3COO]- 340.051251 201.0
[M+Na-2H]- 302.012066 163.7
[M]+ 281.03685142 164.5
[M]- 281.03794858 164.5
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.