CID 3718444

4-bromo-3-fluoroanisole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

473
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 131.3
[M+Na]+ 226.94782 144.5
[M-H]- 202.95132 137.1
[M+NH4]+ 221.99242 154.5
[M+K]+ 242.92176 134.2
[M+H-H2O]+ 186.95586 131.4
[M+HCOO]- 248.95680 153.2
[M+CH3COO]- 262.97245 182.9
[M+Na-2H]- 224.93327 139.6
[M]+ 203.95805 150.1
[M]- 203.95915 150.1
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