CID 2393545

71643-58-8

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

146
Patents

172.05357 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.06085 133.7
[M+Na]+ 195.04279 144.9
[M+NH4]+ 190.08739 140.5
[M+K]+ 211.01673 140.2
[M-H]- 171.04629 132.6
[M+Na-2H]- 193.02824 138.1
[M]+ 172.05302 134.7
[M]- 172.05412 134.7
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