CID 55266097

4-fluoro-2-(3-hydroxypropyl)phenol

Structural Information

Molecular Formula
C9H11FO2
SMILES
C1=CC(=C(C=C1F)CCCO)O
InChI
InChI=1S/C9H11FO2/c10-8-3-4-9(12)7(6-8)2-1-5-11/h3-4,6,11-12H,1-2,5H2
InChIKey
YICLHYNASBWWLJ-UHFFFAOYSA-N
Compound name
4-fluoro-2-(3-hydroxypropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.07431 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08159 133.1
[M+Na]+ 193.06353 141.6
[M-H]- 169.06703 133.2
[M+NH4]+ 188.10813 152.7
[M+K]+ 209.03747 138.5
[M+H-H2O]+ 153.07157 127.3
[M+HCOO]- 215.07251 154.1
[M+CH3COO]- 229.08816 175.1
[M+Na-2H]- 191.04898 138.4
[M]+ 170.07376 131.8
[M]- 170.07486 131.8
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

No patent data available for this compound.