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]+ 210.053646 138.0
[M+Na]+ 232.035588 146.9
[M-H]- 208.039094 135.3
[M+NH4]+ 227.080193 155.9
[M+K]+ 248.009528 143.6
[M+H-H2O]+ 192.043630 129.6
[M+HCOO]- 254.044571 155.1
[M+CH3COO]- 268.060221 185.9
[M+Na-2H]- 230.021036 141.1
[M]+ 209.04582142 130.0
[M]- 209.04691858 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.