CID 10220378

5-bromo-2-chloro-4-fluoroanisole

Structural Information

Molecular Formula
C7H5BrClFO
SMILES
COC1=CC(=C(C=C1Cl)F)Br
InChI
InChI=1S/C7H5BrClFO/c1-11-7-2-4(8)6(10)3-5(7)9/h2-3H,1H3
InChIKey
KHRHCBZTZQFNDK-UHFFFAOYSA-N
Compound name
1-bromo-4-chloro-2-fluoro-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

237.91963 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.92691 139.0
[M+Na]+ 260.90885 144.1
[M+NH4]+ 255.95345 144.5
[M+K]+ 276.88279 142.8
[M-H]- 236.91235 139.0
[M+Na-2H]- 258.89430 143.0
[M]+ 237.91908 138.9
[M]- 237.92018 138.9
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