CID 95730829

3-bromo-2-ethoxy-6-fluorophenol

Structural Information

Molecular Formula
C8H8BrFO2
SMILES
CCOC1=C(C=CC(=C1O)F)Br
InChI
InChI=1S/C8H8BrFO2/c1-2-12-8-5(9)3-4-6(10)7(8)11/h3-4,11H,2H2,1H3
InChIKey
DAGGMTQYTWUXMW-UHFFFAOYSA-N
Compound name
3-bromo-2-ethoxy-6-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.96918 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97646 139.3
[M+Na]+ 256.95840 152.3
[M-H]- 232.96190 143.8
[M+NH4]+ 252.00300 160.7
[M+K]+ 272.93234 141.2
[M+H-H2O]+ 216.96644 139.0
[M+HCOO]- 278.96738 159.5
[M+CH3COO]- 292.98303 186.2
[M+Na-2H]- 254.94385 145.7
[M]+ 233.96863 158.2
[M]- 233.96973 158.2
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.