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]+ 153.071016 127.6
[M+Na]+ 175.052958 136.8
[M-H]- 151.056464 129.2
[M+NH4]+ 170.097563 148.6
[M+K]+ 191.026898 133.6
[M+H-H2O]+ 135.061000 121.9
[M+HCOO]- 197.061941 150.1
[M+CH3COO]- 211.077591 174.8
[M+Na-2H]- 173.038406 133.5
[M]+ 152.06319142 126.0
[M]- 152.06428858 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