CID 5324130

Methyl 3-bromo-2-fluoro-2-methylpropanoate

Structural Information

Molecular Formula
C5H8BrFO2
SMILES
CC(CBr)(C(=O)OC)F
InChI
InChI=1S/C5H8BrFO2/c1-5(7,3-6)4(8)9-2/h3H2,1-2H3
InChIKey
YEPMIIDZZPEMFF-UHFFFAOYSA-N
Compound name
methyl 3-bromo-2-fluoro-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

197.96918 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.97646 133.8
[M+Na]+ 220.95840 145.4
[M-H]- 196.96190 136.0
[M+NH4]+ 216.00300 156.7
[M+K]+ 236.93234 136.2
[M+H-H2O]+ 180.96644 134.3
[M+HCOO]- 242.96738 152.6
[M+CH3COO]- 256.98303 181.1
[M+Na-2H]- 218.94385 141.1
[M]+ 197.96863 152.7
[M]- 197.96973 152.7
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