CID 964336

3,5-dichloro-n-[(2-methoxyphenyl)methyl]aniline hydrochloride

Structural Information

Molecular Formula
C14H13Cl2NO
SMILES
COC1=CC=CC=C1CNC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H13Cl2NO/c1-18-14-5-3-2-4-10(14)9-17-13-7-11(15)6-12(16)8-13/h2-8,17H,9H2,1H3
InChIKey
JOGJMBFGMDTGHJ-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-[(2-methoxyphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

281.0374 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.044676 160.0
[M+Na]+ 304.026618 169.8
[M-H]- 280.030124 166.2
[M+NH4]+ 299.071223 177.4
[M+K]+ 320.000558 163.2
[M+H-H2O]+ 264.034660 154.2
[M+HCOO]- 326.035601 175.9
[M+CH3COO]- 340.051251 200.5
[M+Na-2H]- 302.012066 164.9
[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

patents stripe