CID 18004644

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

Structural Information

Molecular Formula
C9H8BrFO2
SMILES
COC(=O)C(C1=CC=CC=C1F)Br
InChI
InChI=1S/C9H8BrFO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3
InChIKey
JILMPHBWGHVZJX-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2-(2-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

245.96918 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97646 144.0
[M+Na]+ 268.95840 155.1
[M-H]- 244.96190 149.1
[M+NH4]+ 264.00300 164.9
[M+K]+ 284.93234 145.0
[M+H-H2O]+ 228.96644 143.3
[M+HCOO]- 290.96738 163.6
[M+CH3COO]- 304.98303 189.4
[M+Na-2H]- 266.94385 149.3
[M]+ 245.96863 162.4
[M]- 245.96973 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