CID 67215394

2-(3-bromo-4-fluoro-phenyl)-cyclopropanecarboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.96918 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97646 144.0
[M+Na]+ 280.95840 157.9
[M-H]- 256.96190 152.1
[M+NH4]+ 276.00300 159.8
[M+K]+ 296.93234 145.6
[M+H-H2O]+ 240.96644 143.0
[M+HCOO]- 302.96738 163.5
[M+CH3COO]- 316.98303 193.3
[M+Na-2H]- 278.94385 148.9
[M]+ 257.96863 162.9
[M]- 257.96973 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