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

1
Patents

163.0245 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03178 124.9
[M+Na]+ 186.01372 136.2
[M-H]- 162.01722 124.3
[M+NH4]+ 181.05832 145.3
[M+K]+ 201.98766 133.0
[M+H-H2O]+ 146.02176 117.7
[M+HCOO]- 208.02270 146.3
[M+CH3COO]- 222.03835 178.8
[M+Na-2H]- 183.99917 128.9
[M]+ 163.02395 119.5
[M]- 163.02505 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