CID 155819656

2470278-98-7

Structural Information

Molecular Formula
C10H10F5NO
SMILES
C1=CC(=C(C=C1OCCF)F)[C@H](C(F)(F)F)N
InChI
InChI=1S/C10H10F5NO/c11-3-4-17-6-1-2-7(8(12)5-6)9(16)10(13,14)15/h1-2,5,9H,3-4,16H2/t9-/m1/s1
InChIKey
YIHXLWNLKNKCCL-SECBINFHSA-N
Compound name
(1R)-2,2,2-trifluoro-1-[2-fluoro-4-(2-fluoroethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06825 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07553 161.4
[M+Na]+ 278.05747 166.9
[M+NH4]+ 273.10207 164.5
[M+K]+ 294.03141 162.7
[M-H]- 254.06097 156.1
[M+Na-2H]- 276.04292 162.6
[M]+ 255.06770 160.2
[M]- 255.06880 160.2
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.