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]+ 280.01318 156.1
[M+Na]+ 301.99512 166.6
[M-H]- 277.99862 163.5
[M+NH4]+ 297.03972 175.1
[M+K]+ 317.96906 154.0
[M+H-H2O]+ 262.00316 154.1
[M+HCOO]- 324.00410 176.5
[M+CH3COO]- 338.01975 198.4
[M+Na-2H]- 299.98057 161.3
[M]+ 279.00535 170.9
[M]- 279.00645 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.