CID 16640912

Methyl 3-fluoro-4-(hydroxymethyl)benzoate

Structural Information

Molecular Formula
C9H9FO3
SMILES
COC(=O)C1=CC(=C(C=C1)CO)F
InChI
InChI=1S/C9H9FO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4,11H,5H2,1H3
InChIKey
KEMYSTHNPDGPNS-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-4-(hydroxymethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

184.05357 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 137.5
[M+Na]+ 207.04279 148.9
[M+NH4]+ 202.08739 144.4
[M+K]+ 223.01673 143.8
[M-H]- 183.04629 136.9
[M+Na-2H]- 205.02824 142.5
[M]+ 184.05302 138.7
[M]- 184.05412 138.7
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