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]+ 282.04468 160.0
[M+Na]+ 304.02662 169.8
[M-H]- 280.03012 166.2
[M+NH4]+ 299.07122 177.4
[M+K]+ 320.00056 163.2
[M+H-H2O]+ 264.03466 154.2
[M+HCOO]- 326.03560 175.9
[M+CH3COO]- 340.05125 200.5
[M+Na-2H]- 302.01207 164.9
[M]+ 281.03685 164.5
[M]- 281.03795 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