CID 137964696

2307771-63-5

Structural Information

Molecular Formula
C10H8BrFO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=C(C=CC=C2Br)F
InChI
InChI=1S/C10H8BrFO2/c11-7-2-1-3-8(12)9(7)5-4-6(5)10(13)14/h1-3,5-6H,4H2,(H,13,14)/t5-,6-/m1/s1
InChIKey
RSQDENVDTJSTMO-PHDIDXHHSA-N
Compound name
(1R,2R)-2-(2-bromo-6-fluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.96918 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97646 141.7
[M+Na]+ 280.95840 146.0
[M+NH4]+ 276.00300 146.4
[M+K]+ 296.93234 147.8
[M-H]- 256.96190 147.4
[M+Na-2H]- 278.94385 147.1
[M]+ 257.96863 143.6
[M]- 257.96973 143.6
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