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

154
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 131.7
[M+Na]+ 195.04279 141.0
[M-H]- 171.04629 130.9
[M+NH4]+ 190.08739 150.7
[M+K]+ 211.01673 137.8
[M+H-H2O]+ 155.05083 126.3
[M+HCOO]- 217.05177 151.7
[M+CH3COO]- 231.06742 172.9
[M+Na-2H]- 193.02824 136.3
[M]+ 172.05302 130.0
[M]- 172.05412 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