CID 84684276

2-bromo-3-methoxybenzyl fluoride

Structural Information

Molecular Formula
C8H8BrFO
SMILES
COC1=CC=CC(=C1Br)CF
InChI
InChI=1S/C8H8BrFO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,5H2,1H3
InChIKey
CYLHMMVQELNQFN-UHFFFAOYSA-N
Compound name
2-bromo-1-(fluoromethyl)-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.97426 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.981536 136.1
[M+Na]+ 240.963478 148.9
[M-H]- 216.966984 141.7
[M+NH4]+ 236.008083 158.7
[M+K]+ 256.937418 138.3
[M+H-H2O]+ 200.971520 135.9
[M+HCOO]- 262.972461 157.6
[M+CH3COO]- 276.988111 185.7
[M+Na-2H]- 238.948926 143.8
[M]+ 217.97371142 155.2
[M]- 217.97480858 155.2
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

No patent data available for this compound.