CID 3859755

[3-(4-chlorophenoxy)phenyl]methylamine hydrochloride

Structural Information

Molecular Formula
C13H12ClNO
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)CN
InChI
InChI=1S/C13H12ClNO/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-8H,9,15H2
InChIKey
OARRDZAFQFAGKN-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

233.06075 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06803 149.6
[M+Na]+ 256.04997 158.6
[M-H]- 232.05347 156.0
[M+NH4]+ 251.09457 168.0
[M+K]+ 272.02391 153.1
[M+H-H2O]+ 216.05801 143.2
[M+HCOO]- 278.05895 170.4
[M+CH3COO]- 292.07460 191.3
[M+Na-2H]- 254.03542 155.6
[M]+ 233.06020 151.1
[M]- 233.06130 151.1
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