CID 3817232

6-chloro-2-fluoro-3-methoxybenzyl bromide

Structural Information

Molecular Formula
C8H7BrClFO
SMILES
COC1=C(C(=C(C=C1)Cl)CBr)F
InChI
InChI=1S/C8H7BrClFO/c1-12-7-3-2-6(10)5(4-9)8(7)11/h2-3H,4H2,1H3
InChIKey
GXFGAQZYZUIINO-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-chloro-3-fluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.93529 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94257 143.6
[M+Na]+ 274.92451 148.5
[M+NH4]+ 269.96911 148.9
[M+K]+ 290.89845 147.0
[M-H]- 250.92801 143.6
[M+Na-2H]- 272.90996 147.3
[M]+ 251.93474 143.4
[M]- 251.93584 143.4
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