CID 22761802

2-fluoro-6-(prop-2-en-1-yl)phenol

Structural Information

Molecular Formula
C9H9FO
SMILES
C=CCC1=C(C(=CC=C1)F)O
InChI
InChI=1S/C9H9FO/c1-2-4-7-5-3-6-8(10)9(7)11/h2-3,5-6,11H,1,4H2
InChIKey
ALQMRUZBCJQKGA-UHFFFAOYSA-N
Compound name
2-fluoro-6-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

152.06374 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07102 127.6
[M+Na]+ 175.05296 136.8
[M-H]- 151.05646 129.2
[M+NH4]+ 170.09756 148.6
[M+K]+ 191.02690 133.6
[M+H-H2O]+ 135.06100 121.9
[M+HCOO]- 197.06194 150.1
[M+CH3COO]- 211.07759 174.8
[M+Na-2H]- 173.03841 133.5
[M]+ 152.06319 126.0
[M]- 152.06429 126.0
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