CID 2778764

4-amino-2,6-difluorophenol

Structural Information

Molecular Formula
C6H5F2NO
SMILES
C1=C(C=C(C(=C1F)O)F)N
InChI
InChI=1S/C6H5F2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
InChIKey
RFEOSYDHBGPXCU-UHFFFAOYSA-N
Compound name
4-amino-2,6-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

145.03392 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04120 125.7
[M+Na]+ 168.02314 136.5
[M+NH4]+ 163.06774 132.9
[M+K]+ 183.99708 131.4
[M-H]- 144.02664 125.2
[M+Na-2H]- 166.00859 131.0
[M]+ 145.03337 126.8
[M]- 145.03447 126.8
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