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

7
Patents

234.98082 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.988096 144.3
[M+Na]+ 257.970038 154.7
[M-H]- 233.973544 147.5
[M+NH4]+ 253.014643 164.9
[M+K]+ 273.943978 143.1
[M+H-H2O]+ 217.978080 142.2
[M+HCOO]- 279.979021 162.8
[M+CH3COO]- 293.994671 190.8
[M+Na-2H]- 255.955486 148.4
[M]+ 234.98027142 157.4
[M]- 234.98136858 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

patents stripe