CID 2779318

2-bromo-3-fluoroanisole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

203.9586 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.965876 131.3
[M+Na]+ 226.947818 144.5
[M-H]- 202.951324 137.1
[M+NH4]+ 221.992423 154.5
[M+K]+ 242.921758 134.2
[M+H-H2O]+ 186.955860 131.4
[M+HCOO]- 248.956801 153.2
[M+CH3COO]- 262.972451 182.9
[M+Na-2H]- 224.933266 139.6
[M]+ 203.95805142 150.1
[M]- 203.95914858 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

No literature data available for this compound.

Patent stripe

patents stripe