CID 22250897

325163-35-7

Structural Information

Molecular Formula
C8H9BrFN
SMILES
C1=CC(=C(C=C1Br)F)CCN
InChI
InChI=1S/C8H9BrFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKey
QXHWJCUUMKYSLH-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

216.99023 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.99751 138.4
[M+Na]+ 239.97945 150.2
[M-H]- 215.98295 143.2
[M+NH4]+ 235.02405 160.3
[M+K]+ 255.95339 138.3
[M+H-H2O]+ 199.98749 137.4
[M+HCOO]- 261.98843 159.9
[M+CH3COO]- 276.00408 187.6
[M+Na-2H]- 237.96490 145.1
[M]+ 216.98968 154.3
[M]- 216.99078 154.3
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