CID 104574686

Methyl 2-bromo-2-(3-bromo-4-fluorophenyl)acetate

Structural Information

Molecular Formula
C9H7Br2FO2
SMILES
COC(=O)C(C1=CC(=C(C=C1)F)Br)Br
InChI
InChI=1S/C9H7Br2FO2/c1-14-9(13)8(11)5-2-3-7(12)6(10)4-5/h2-4,8H,1H3
InChIKey
JDZXEBKAUYNVQO-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2-(3-bromo-4-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

323.87967 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.886946 147.3
[M+Na]+ 346.868888 158.1
[M-H]- 322.872394 153.2
[M+NH4]+ 341.913493 165.6
[M+K]+ 362.842828 143.1
[M+H-H2O]+ 306.876930 154.5
[M+HCOO]- 368.877871 161.8
[M+CH3COO]- 382.893521 206.8
[M+Na-2H]- 344.854336 151.9
[M]+ 323.87912142 181.2
[M]- 323.88021858 181.2
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