CID 83733432

1314739-01-9

Structural Information

Molecular Formula
C10H8BrFO2
SMILES
C1CC1(C2=C(C=CC(=C2)F)Br)C(=O)O
InChI
InChI=1S/C10H8BrFO2/c11-8-2-1-6(12)5-7(8)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKey
VNGYBOIHEQCFBI-UHFFFAOYSA-N
Compound name
1-(2-bromo-5-fluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.2
[M+Na]+ 280.95840 157.9
[M-H]- 256.96190 152.3
[M+NH4]+ 276.00300 161.5
[M+K]+ 296.93234 146.6
[M+H-H2O]+ 240.96644 144.2
[M+HCOO]- 302.96738 163.4
[M+CH3COO]- 316.98303 191.8
[M+Na-2H]- 278.94385 150.8
[M]+ 257.96863 163.3
[M]- 257.96973 163.3
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.