CID 43174061

(4-bromo-2-phenoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C13H12BrNO
SMILES
C1=CC=C(C=C1)OC2=C(C=CC(=C2)Br)CN
InChI
InChI=1S/C13H12BrNO/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h1-8H,9,15H2
InChIKey
BRHBNMZJULCWFA-UHFFFAOYSA-N
Compound name
(4-bromo-2-phenoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.01022 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.017496 154.2
[M+Na]+ 299.999438 164.8
[M-H]- 276.002944 162.9
[M+NH4]+ 295.044043 173.4
[M+K]+ 315.973378 152.8
[M+H-H2O]+ 260.007480 152.9
[M+HCOO]- 322.008421 176.7
[M+CH3COO]- 336.024071 197.0
[M+Na-2H]- 297.984886 161.3
[M]+ 277.00967142 171.9
[M]- 277.01076858 171.9
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.