CID 118304503

Rac-(1r,2r)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H8BrFO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C10H8BrFO2/c11-5-1-2-9(12)7(3-5)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H,13,14)/t6-,8+/m0/s1
InChIKey
WUZXMVVEXNTLHL-POYBYMJQSA-N
Compound name
trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.96918 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.976456 144.0
[M+Na]+ 280.958398 157.9
[M-H]- 256.961904 152.1
[M+NH4]+ 276.003003 159.8
[M+K]+ 296.932338 145.6
[M+H-H2O]+ 240.966440 143.0
[M+HCOO]- 302.967381 163.5
[M+CH3COO]- 316.983031 193.3
[M+Na-2H]- 278.943846 148.9
[M]+ 257.96863142 162.9
[M]- 257.96972858 162.9
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

patents stripe