CID 83733429

1-(3-bromo-5-fluorophenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H8BrFO2
SMILES
C1CC1(C2=CC(=CC(=C2)Br)F)C(=O)O
InChI
InChI=1S/C10H8BrFO2/c11-7-3-6(4-8(12)5-7)10(1-2-10)9(13)14/h3-5H,1-2H2,(H,13,14)
InChIKey
SAGGTUFHVPMZII-UHFFFAOYSA-N
Compound name
1-(3-bromo-5-fluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.96918 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97646 143.8
[M+Na]+ 280.95840 147.9
[M+NH4]+ 276.00300 149.7
[M+K]+ 296.93234 148.2
[M-H]- 256.96190 149.6
[M+Na-2H]- 278.94385 150.6
[M]+ 257.96863 145.9
[M]- 257.96973 145.9
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