CID 98041708

1823931-78-7

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]+ 296.892046 139.6
[M+Na]+ 318.873988 151.8
[M-H]- 294.877494 145.9
[M+NH4]+ 313.918593 159.3
[M+K]+ 334.847928 136.5
[M+H-H2O]+ 278.882030 147.2
[M+HCOO]- 340.882971 155.7
[M+CH3COO]- 354.898621 203.8
[M+Na-2H]- 316.859436 146.3
[M]+ 295.88422142 174.1
[M]- 295.88531858 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.