CID 167734685

Methyl 2-(3-bromo-2-fluorophenoxy)acetate

Structural Information

Molecular Formula
C9H8BrFO3
SMILES
COC(=O)COC1=C(C(=CC=C1)Br)F
InChI
InChI=1S/C9H8BrFO3/c1-13-8(12)5-14-7-4-2-3-6(10)9(7)11/h2-4H,5H2,1H3
InChIKey
YHCGIGRJARTPHP-UHFFFAOYSA-N
Compound name
methyl 2-(3-bromo-2-fluorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.96408 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.97136 145.3
[M+Na]+ 284.95330 157.4
[M-H]- 260.95680 150.7
[M+NH4]+ 279.99790 165.9
[M+K]+ 300.92724 147.4
[M+H-H2O]+ 244.96134 144.4
[M+HCOO]- 306.96228 166.1
[M+CH3COO]- 320.97793 191.6
[M+Na-2H]- 282.93875 151.2
[M]+ 261.96353 166.1
[M]- 261.96463 166.1
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.