CID 172407722

2759277-82-0

Structural Information

Molecular Formula
C12H16BrFO2
SMILES
CCCCCCOC1=C(C(=C(C=C1)Br)O)F
InChI
InChI=1S/C12H16BrFO2/c1-2-3-4-5-8-16-10-7-6-9(13)12(15)11(10)14/h6-7,15H,2-5,8H2,1H3
InChIKey
YVJUDJXSNACMNP-UHFFFAOYSA-N
Compound name
6-bromo-2-fluoro-3-hexoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.03177 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03905 158.0
[M+Na]+ 313.02099 169.3
[M-H]- 289.02449 161.7
[M+NH4]+ 308.06559 177.3
[M+K]+ 328.99493 157.3
[M+H-H2O]+ 273.02903 156.9
[M+HCOO]- 335.02997 176.8
[M+CH3COO]- 349.04562 197.4
[M+Na-2H]- 311.00644 162.2
[M]+ 290.03122 178.3
[M]- 290.03232 178.3
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.