CID 83412491

1314667-66-7

Structural Information

Molecular Formula
C11H10BrFO2
SMILES
C1CC(C1)(C2=C(C=CC(=C2)Br)F)C(=O)O
InChI
InChI=1S/C11H10BrFO2/c12-7-2-3-9(13)8(6-7)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15)
InChIKey
ZHLJWZMVDSAWOS-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-fluorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.98483 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.99211 144.6
[M+Na]+ 294.97405 154.7
[M-H]- 270.97755 151.5
[M+NH4]+ 290.01865 159.7
[M+K]+ 310.94799 146.5
[M+H-H2O]+ 254.98209 140.2
[M+HCOO]- 316.98303 161.7
[M+CH3COO]- 330.99868 194.3
[M+Na-2H]- 292.95950 150.1
[M]+ 271.98428 168.4
[M]- 271.98538 168.4
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

No patent data available for this compound.