CID 155819656

(1r)-2,2,2-trifluoro-1-[2-fluoro-4-(2-fluoroethoxy)phenyl]ethan-1-amine hydrochloride

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 150.1
[M+Na]+ 278.05747 158.5
[M-H]- 254.06097 146.9
[M+NH4]+ 273.10207 166.7
[M+K]+ 294.03141 155.2
[M+H-H2O]+ 238.06551 139.9
[M+HCOO]- 300.06645 166.9
[M+CH3COO]- 314.08210 197.4
[M+Na-2H]- 276.04292 151.9
[M]+ 255.06770 143.4
[M]- 255.06880 143.4
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.