CID 316511

2-bromo-3-fluoropropionic acid

Structural Information

Molecular Formula
C3H4BrFO2
SMILES
C(C(C(=O)O)Br)F
InChI
InChI=1S/C3H4BrFO2/c4-2(1-5)3(6)7/h2H,1H2,(H,6,7)
InChIKey
FBPUCVAAEPPEMG-UHFFFAOYSA-N
Compound name
2-bromo-3-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.93787 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.94515 125.5
[M+Na]+ 192.92709 136.6
[M-H]- 168.93059 126.3
[M+NH4]+ 187.97169 148.4
[M+K]+ 208.90103 127.0
[M+H-H2O]+ 152.93513 125.8
[M+HCOO]- 214.93607 143.9
[M+CH3COO]- 228.95172 174.1
[M+Na-2H]- 190.91254 131.4
[M]+ 169.93732 141.7
[M]- 169.93842 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe