CID 146050299

2-bromo-2-fluoro-3-phenylbicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C12H10BrFO2
SMILES
C1C2(CC1(C2(F)Br)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C12H10BrFO2/c13-12(14)10(8-4-2-1-3-5-8)6-11(12,7-10)9(15)16/h1-5H,6-7H2,(H,15,16)
InChIKey
PMWXQFZDWGMSIY-UHFFFAOYSA-N
Compound name
2-bromo-2-fluoro-3-phenylbicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.98483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.99211 156.2
[M+Na]+ 306.97405 164.0
[M-H]- 282.97755 162.3
[M+NH4]+ 302.01865 163.7
[M+K]+ 322.94799 161.7
[M+H-H2O]+ 266.98209 148.8
[M+HCOO]- 328.98303 166.6
[M+CH3COO]- 342.99868 217.4
[M+Na-2H]- 304.95950 163.9
[M]+ 283.98428 192.2
[M]- 283.98538 192.2
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.