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

16
Patents

323.87967 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.88695 147.3
[M+Na]+ 346.86889 158.1
[M-H]- 322.87239 153.2
[M+NH4]+ 341.91349 165.6
[M+K]+ 362.84283 143.1
[M+H-H2O]+ 306.87693 154.5
[M+HCOO]- 368.87787 161.8
[M+CH3COO]- 382.89352 206.8
[M+Na-2H]- 344.85434 151.9
[M]+ 323.87912 181.2
[M]- 323.88022 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