CID 7018043

2-bromo-5-fluoroanisole

Structural Information

Molecular Formula
C7H6BrFO
SMILES
COC1=C(C=CC(=C1)F)Br
InChI
InChI=1S/C7H6BrFO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
InChIKey
KGYXKRGMSUHYCY-UHFFFAOYSA-N
Compound name
1-bromo-4-fluoro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

663
Patents

203.9586 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96588 134.6
[M+Na]+ 226.94782 138.7
[M+NH4]+ 221.99242 139.9
[M+K]+ 242.92176 138.0
[M-H]- 202.95132 134.6
[M+Na-2H]- 224.93327 138.6
[M]+ 203.95805 134.0
[M]- 203.95915 134.0
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

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