CID 69141614

4-fluoro-3-(hydroxymethyl)phenol

Structural Information

Molecular Formula
C7H7FO2
SMILES
C1=CC(=C(C=C1O)CO)F
InChI
InChI=1S/C7H7FO2/c8-7-2-1-6(10)3-5(7)4-9/h1-3,9-10H,4H2
InChIKey
MDGNKMOOSLLPBM-UHFFFAOYSA-N
Compound name
4-fluoro-3-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

142.04301 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.050286 123.7
[M+Na]+ 165.032228 133.1
[M-H]- 141.035734 124.2
[M+NH4]+ 160.076833 144.4
[M+K]+ 181.006168 130.5
[M+H-H2O]+ 125.040270 118.4
[M+HCOO]- 187.041211 145.4
[M+CH3COO]- 201.056861 169.0
[M+Na-2H]- 163.017676 130.1
[M]+ 142.04246142 121.7
[M]- 142.04355858 121.7
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