CID 688225

2-bromo-1-fluoro-3,5-dimethoxybenzene

Structural Information

Molecular Formula
C8H8BrFO2
SMILES
COC1=CC(=C(C(=C1)F)Br)OC
InChI
InChI=1S/C8H8BrFO2/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4H,1-2H3
InChIKey
DGHHLXADLQCVKV-UHFFFAOYSA-N
Compound name
2-bromo-1-fluoro-3,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
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 138.1
[M+Na]+ 256.95840 151.6
[M-H]- 232.96190 144.0
[M+NH4]+ 252.00300 160.3
[M+K]+ 272.93234 141.5
[M+H-H2O]+ 216.96644 137.8
[M+HCOO]- 278.96738 159.8
[M+CH3COO]- 292.98303 188.6
[M+Na-2H]- 254.94385 145.2
[M]+ 233.96863 158.9
[M]- 233.96973 158.9
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