CID 2778766

4-amino-2,3-difluorophenol

Structural Information

Molecular Formula
C6H5F2NO
SMILES
C1=CC(=C(C(=C1N)F)F)O
InChI
InChI=1S/C6H5F2NO/c7-5-3(9)1-2-4(10)6(5)8/h1-2,10H,9H2
InChIKey
LYFMJLYBTMEYDV-UHFFFAOYSA-N
Compound name
4-amino-2,3-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
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

No literature data available for this compound.

Patent stripe

patents stripe