CID 66511060

4-[(1r)-1-amino-2,2,2-trifluoroethyl]-3-fluorophenol hydrochloride

Structural Information

Molecular Formula
C8H7F4NO
SMILES
C1=CC(=C(C=C1O)F)[C@H](C(F)(F)F)N
InChI
InChI=1S/C8H7F4NO/c9-6-3-4(14)1-2-5(6)7(13)8(10,11)12/h1-3,7,14H,13H2/t7-/m1/s1
InChIKey
AZLSNPNMXSHEQM-SSDOTTSWSA-N
Compound name
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.04637 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05365 138.0
[M+Na]+ 232.03559 146.9
[M-H]- 208.03909 135.3
[M+NH4]+ 227.08019 155.9
[M+K]+ 248.00953 143.6
[M+H-H2O]+ 192.04363 129.6
[M+HCOO]- 254.04457 155.1
[M+CH3COO]- 268.06022 185.9
[M+Na-2H]- 230.02104 141.1
[M]+ 209.04582 130.0
[M]- 209.04692 130.0
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.