CID 24690813

(4-bromo-2-fluorophenyl)(phenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C13H11BrFN
SMILES
C1=CC=C(C=C1)C(C2=C(C=C(C=C2)Br)F)N
InChI
InChI=1S/C13H11BrFN/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2
InChIKey
YYVCIDGLFCZXAV-UHFFFAOYSA-N
Compound name
(4-bromo-2-fluorophenyl)-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0059 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.013176 156.1
[M+Na]+ 301.995118 166.6
[M-H]- 277.998624 163.5
[M+NH4]+ 297.039723 175.1
[M+K]+ 317.969058 154.0
[M+H-H2O]+ 262.003160 154.1
[M+HCOO]- 324.004101 176.5
[M+CH3COO]- 338.019751 198.4
[M+Na-2H]- 299.980566 161.3
[M]+ 279.00535142 170.9
[M]- 279.00644858 170.9
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.