CID 83384135

2126161-33-7

Structural Information

Molecular Formula
C8H8BrF2N
SMILES
C1=CC(=C(C(=C1F)CCN)F)Br
InChI
InChI=1S/C8H8BrF2N/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2H,3-4,12H2
InChIKey
NGSXXLGUCXZORG-UHFFFAOYSA-N
Compound name
2-(3-bromo-2,6-difluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.98082 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.98810 141.9
[M+Na]+ 257.97004 154.6
[M-H]- 233.97354 145.7
[M+NH4]+ 253.01464 163.2
[M+K]+ 273.94398 142.2
[M+H-H2O]+ 217.97808 140.1
[M+HCOO]- 279.97902 162.3
[M+CH3COO]- 293.99467 191.3
[M+Na-2H]- 255.95549 147.1
[M]+ 234.98027 157.0
[M]- 234.98137 157.0
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.