CID 138040622

Methyl 2-bromo-2-(3-chloro-2,4-difluorophenyl)acetate

Structural Information

Molecular Formula
C9H6BrClF2O2
SMILES
COC(=O)C(C1=C(C(=C(C=C1)F)Cl)F)Br
InChI
InChI=1S/C9H6BrClF2O2/c1-15-9(14)6(10)4-2-3-5(12)7(11)8(4)13/h2-3,6H,1H3
InChIKey
PJZLGCUVOGHQET-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2-(3-chloro-2,4-difluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.92078 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.92806 149.4
[M+Na]+ 320.91000 163.4
[M-H]- 296.91350 153.9
[M+NH4]+ 315.95460 169.8
[M+K]+ 336.88394 150.8
[M+H-H2O]+ 280.91804 149.0
[M+HCOO]- 342.91898 163.8
[M+CH3COO]- 356.93463 197.7
[M+Na-2H]- 318.89545 152.7
[M]+ 297.92023 169.4
[M]- 297.92133 169.4
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.