CID 86644556

Methyl 2-(4-bromophenyl)-2-fluoroacetate

Structural Information

Molecular Formula
C9H8BrFO2
SMILES
COC(=O)C(C1=CC=C(C=C1)Br)F
InChI
InChI=1S/C9H8BrFO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,1H3
InChIKey
JQBWNBUECSXIEJ-UHFFFAOYSA-N
Compound name
methyl 2-(4-bromophenyl)-2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

245.96918 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.976456 144.0
[M+Na]+ 268.958398 155.1
[M-H]- 244.961904 149.1
[M+NH4]+ 264.003003 164.9
[M+K]+ 284.932338 145.0
[M+H-H2O]+ 228.966440 143.3
[M+HCOO]- 290.967381 163.6
[M+CH3COO]- 304.983031 189.4
[M+Na-2H]- 266.943846 149.3
[M]+ 245.96863142 162.4
[M]- 245.96972858 162.4
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

patents stripe