CID 28973210

2225127-09-1

Structural Information

Molecular Formula
C8H8BrF2N
SMILES
C1=CC(=CC=C1[C@H](C(F)F)N)Br
InChI
InChI=1S/C8H8BrF2N/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8H,12H2/t7-/m1/s1
InChIKey
UHRJUROJGQHHTE-SSDOTTSWSA-N
Compound name
(1R)-1-(4-bromophenyl)-2,2-difluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

234.98082 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.98810 144.3
[M+Na]+ 257.97004 154.7
[M-H]- 233.97354 147.5
[M+NH4]+ 253.01464 164.9
[M+K]+ 273.94398 143.1
[M+H-H2O]+ 217.97808 142.2
[M+HCOO]- 279.97902 162.8
[M+CH3COO]- 293.99467 190.8
[M+Na-2H]- 255.95549 148.4
[M]+ 234.98027 157.4
[M]- 234.98137 157.4
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.