CID 11041423

3-bromo-2-fluoro-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H6BrFO2
SMILES
CC(CBr)(C(=O)O)F
InChI
InChI=1S/C4H6BrFO2/c1-4(6,2-5)3(7)8/h2H2,1H3,(H,7,8)
InChIKey
RXCJKSVUZGAPPK-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.95352 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.96080 130.1
[M+Na]+ 206.94274 141.6
[M-H]- 182.94624 131.1
[M+NH4]+ 201.98734 152.8
[M+K]+ 222.91668 131.6
[M+H-H2O]+ 166.95078 130.9
[M+HCOO]- 228.95172 147.7
[M+CH3COO]- 242.96737 176.3
[M+Na-2H]- 204.92819 137.3
[M]+ 183.95297 146.9
[M]- 183.95407 146.9
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.