CID 17989267

141080-73-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
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

literature stripe

Patent stripe

patents stripe