CID 20111745

700381-18-6

Structural Information

Molecular Formula
C8H8BrFO
SMILES
COC1=C(C=C(C=C1)F)CBr
InChI
InChI=1S/C8H8BrFO/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3
InChIKey
LXUGHXUXEMUEKR-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-fluoro-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

217.97426 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98154 139.2
[M+Na]+ 240.96348 143.1
[M+NH4]+ 236.00808 144.3
[M+K]+ 256.93742 142.1
[M-H]- 216.96698 139.1
[M+Na-2H]- 238.94893 142.9
[M]+ 217.97371 138.6
[M]- 217.97481 138.6
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