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]+ 278.01750 154.2
[M+Na]+ 299.99944 164.8
[M-H]- 276.00294 162.9
[M+NH4]+ 295.04404 173.4
[M+K]+ 315.97338 152.8
[M+H-H2O]+ 260.00748 152.9
[M+HCOO]- 322.00842 176.7
[M+CH3COO]- 336.02407 197.0
[M+Na-2H]- 297.98489 161.3
[M]+ 277.00967 171.9
[M]- 277.01077 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.