CID 55277980

1394822-90-2

Structural Information

Molecular Formula
C8H8F3NO
SMILES
C1=CC=C(C(=C1)[C@H](C(F)(F)F)N)O
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)7(12)5-3-1-2-4-6(5)13/h1-4,7,13H,12H2/t7-/m1/s1
InChIKey
CAJCNRNFQRHXOB-SSDOTTSWSA-N
Compound name
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06308 135.6
[M+Na]+ 214.04502 143.4
[M-H]- 190.04852 133.8
[M+NH4]+ 209.08962 154.0
[M+K]+ 230.01896 140.5
[M+H-H2O]+ 174.05306 127.9
[M+HCOO]- 236.05400 153.8
[M+CH3COO]- 250.06965 181.8
[M+Na-2H]- 212.03047 139.9
[M]+ 191.05525 128.4
[M]- 191.05635 128.4
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.