CID 85989046

6-bromo-2-fluoro-3-(pentyloxy)phenol

Structural Information

Molecular Formula
C11H14BrFO2
SMILES
CCCCCOC1=C(C(=C(C=C1)Br)O)F
InChI
InChI=1S/C11H14BrFO2/c1-2-3-4-7-15-9-6-5-8(12)11(14)10(9)13/h5-6,14H,2-4,7H2,1H3
InChIKey
RURYXCLLSWUQRI-UHFFFAOYSA-N
Compound name
6-bromo-2-fluoro-3-pentoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0161 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02338 153.3
[M+Na]+ 299.00532 165.1
[M-H]- 275.00882 157.3
[M+NH4]+ 294.04992 173.1
[M+K]+ 314.97926 153.3
[M+H-H2O]+ 259.01336 152.5
[M+HCOO]- 321.01430 172.5
[M+CH3COO]- 335.02995 194.6
[M+Na-2H]- 296.99077 158.1
[M]+ 276.01555 173.3
[M]- 276.01665 173.3
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.