CID 2778999

1-bromo-3-(fluoromethoxy)benzene

Structural Information

Molecular Formula
C7H6BrFO
SMILES
C1=CC(=CC(=C1)Br)OCF
InChI
InChI=1S/C7H6BrFO/c8-6-2-1-3-7(4-6)10-5-9/h1-4H,5H2
InChIKey
SBSXTRYBPMEBNX-UHFFFAOYSA-N
Compound name
1-bromo-3-(fluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

203.9586 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.965876 132.1
[M+Na]+ 226.947818 144.4
[M-H]- 202.951324 137.5
[M+NH4]+ 221.992423 154.9
[M+K]+ 242.921758 134.1
[M+H-H2O]+ 186.955860 132.0
[M+HCOO]- 248.956801 154.0
[M+CH3COO]- 262.972451 181.9
[M+Na-2H]- 224.933266 141.0
[M]+ 203.95805142 150.6
[M]- 203.95914858 150.6
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