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

241
Patents

145.03392 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.041196 122.5
[M+Na]+ 168.023138 132.8
[M-H]- 144.026644 122.9
[M+NH4]+ 163.067743 143.4
[M+K]+ 183.997078 130.0
[M+H-H2O]+ 128.031180 116.1
[M+HCOO]- 190.032121 145.1
[M+CH3COO]- 204.047771 174.7
[M+Na-2H]- 166.008586 127.8
[M]+ 145.03337142 118.0
[M]- 145.03446858 118.0
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