CID 64333513

2094137-56-9

Structural Information

Molecular Formula
C15H15Cl2NO
SMILES
CC(C1=C(C=C(C=C1)OC2=CC=CC=C2Cl)Cl)NC
InChI
InChI=1S/C15H15Cl2NO/c1-10(18-2)12-8-7-11(9-14(12)17)19-15-6-4-3-5-13(15)16/h3-10,18H,1-2H3
InChIKey
WCEVHKNAQOZYIT-UHFFFAOYSA-N
Compound name
1-[2-chloro-4-(2-chlorophenoxy)phenyl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.05307 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06035 164.3
[M+Na]+ 318.04229 173.3
[M-H]- 294.04579 170.4
[M+NH4]+ 313.08689 181.0
[M+K]+ 334.01623 167.0
[M+H-H2O]+ 278.05033 158.4
[M+HCOO]- 340.05127 178.9
[M+CH3COO]- 354.06692 204.2
[M+Na-2H]- 316.02774 167.5
[M]+ 295.05252 168.6
[M]- 295.05362 168.6
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.