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 139.9
[M+Na]+ 274.92451 154.6
[M-H]- 250.92801 145.7
[M+NH4]+ 269.96911 162.4
[M+K]+ 290.89845 141.9
[M+H-H2O]+ 234.93255 140.7
[M+HCOO]- 296.93349 157.1
[M+CH3COO]- 310.94914 190.3
[M+Na-2H]- 272.90996 146.7
[M]+ 251.93474 161.2
[M]- 251.93584 161.2
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

patents stripe