CID 17989267

4-fluoro-3-methoxybenzyl bromide

Structural Information

Molecular Formula
C8H8BrFO
SMILES
COC1=C(C=CC(=C1)CBr)F
InChI
InChI=1S/C8H8BrFO/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,5H2,1H3
InChIKey
XRLJROQMXLOJFO-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-fluoro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

217.97426 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe