CID 83733431

1314789-80-4

Structural Information

Molecular Formula
C10H8BrFO2
SMILES
C1CC1(C2=CC(=C(C=C2)F)Br)C(=O)O
InChI
InChI=1S/C10H8BrFO2/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKey
HRZSVSXYCYMFEJ-UHFFFAOYSA-N
Compound name
1-(3-bromo-4-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]+ 258.976456 144.2
[M+Na]+ 280.958398 157.9
[M-H]- 256.961904 152.3
[M+NH4]+ 276.003003 161.5
[M+K]+ 296.932338 146.6
[M+H-H2O]+ 240.966440 144.2
[M+HCOO]- 302.967381 163.4
[M+CH3COO]- 316.983031 191.8
[M+Na-2H]- 278.943846 150.8
[M]+ 257.96863142 163.3
[M]- 257.96972858 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.