CID 2735919

4-amino-3-fluorophenol

Structural Information

Molecular Formula
C6H6FNO
SMILES
C1=CC(=C(C=C1O)F)N
InChI
InChI=1S/C6H6FNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKey
MNPLTKHJEAFOCA-UHFFFAOYSA-N
Compound name
4-amino-3-fluorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8120
Patents

127.04334 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05062 121.1
[M+Na]+ 150.03256 132.8
[M+NH4]+ 145.07716 129.4
[M+K]+ 166.00650 127.4
[M-H]- 126.03606 122.1
[M+Na-2H]- 148.01801 127.6
[M]+ 127.04279 122.8
[M]- 127.04389 122.8
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