CID 12904375

4-amino-2,3,5,6-tetrafluorophenol

Structural Information

Molecular Formula
C6H3F4NO
SMILES
C1(=C(C(=C(C(=C1F)F)O)F)F)N
InChI
InChI=1S/C6H3F4NO/c7-1-3(9)6(12)4(10)2(8)5(1)11/h12H,11H2
InChIKey
FFRMSRDSTZTRKL-UHFFFAOYSA-N
Compound name
4-amino-2,3,5,6-tetrafluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

181.01508 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.022356 127.5
[M+Na]+ 204.004298 139.7
[M-H]- 180.007804 125.8
[M+NH4]+ 199.048903 147.3
[M+K]+ 219.978238 136.0
[M+H-H2O]+ 164.012340 119.5
[M+HCOO]- 226.013281 147.7
[M+CH3COO]- 240.028931 183.0
[M+Na-2H]- 201.989746 130.0
[M]+ 181.01453142 121.2
[M]- 181.01562858 121.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe