CID 2393545

4-fluoro-2,6-bis(hydroxymethyl)phenol

Structural Information

Molecular Formula
C8H9FO3
SMILES
C1=C(C=C(C(=C1CO)O)CO)F
InChI
InChI=1S/C8H9FO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,10-12H,3-4H2
InChIKey
GETCNIWYTGPBMQ-UHFFFAOYSA-N
Compound name
4-fluoro-2,6-bis(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

172.05357 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.060846 131.7
[M+Na]+ 195.042788 141.0
[M-H]- 171.046294 130.9
[M+NH4]+ 190.087393 150.7
[M+K]+ 211.016728 137.8
[M+H-H2O]+ 155.050830 126.3
[M+HCOO]- 217.051771 151.7
[M+CH3COO]- 231.067421 172.9
[M+Na-2H]- 193.028236 136.3
[M]+ 172.05302142 130.0
[M]- 172.05411858 130.0
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