CID 98041708

2-bromo-5-fluoro-4-methoxybenzyl bromide

Structural Information

Molecular Formula
C8H7Br2FO
SMILES
COC1=C(C=C(C(=C1)Br)CBr)F
InChI
InChI=1S/C8H7Br2FO/c1-12-8-3-6(10)5(4-9)2-7(8)11/h2-3H,4H2,1H3
InChIKey
HBJPRBIATMODND-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-4-fluoro-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.88477 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.89205 139.6
[M+Na]+ 318.87399 151.8
[M-H]- 294.87749 145.9
[M+NH4]+ 313.91859 159.3
[M+K]+ 334.84793 136.5
[M+H-H2O]+ 278.88203 147.2
[M+HCOO]- 340.88297 155.7
[M+CH3COO]- 354.89862 203.8
[M+Na-2H]- 316.85944 146.3
[M]+ 295.88422 174.1
[M]- 295.88532 174.1
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.