CID 22755991

3-amino-2,4,6-trifluorophenol

Structural Information

Molecular Formula
C6H4F3NO
SMILES
C1=C(C(=C(C(=C1F)O)F)N)F
InChI
InChI=1S/C6H4F3NO/c7-2-1-3(8)6(11)4(9)5(2)10/h1,11H,10H2
InChIKey
JRJOEUOVPLIHLU-UHFFFAOYSA-N
Compound name
3-amino-2,4,6-trifluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

163.0245 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.031776 124.9
[M+Na]+ 186.013718 136.2
[M-H]- 162.017224 124.3
[M+NH4]+ 181.058323 145.3
[M+K]+ 201.987658 133.0
[M+H-H2O]+ 146.021760 117.7
[M+HCOO]- 208.022701 146.3
[M+CH3COO]- 222.038351 178.8
[M+Na-2H]- 183.999166 128.9
[M]+ 163.02395142 119.5
[M]- 163.02504858 119.5
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

patents stripe