CID 130791846

(1r,2r)-1-fluoro-2-phenylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H9FO2
SMILES
C1[C@@H]([C@]1(C(=O)O)F)C2=CC=CC=C2
InChI
InChI=1S/C10H9FO2/c11-10(9(12)13)6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-,10-/m1/s1
InChIKey
OYQKMDIGSGRQJP-PSASIEDQSA-N
Compound name
(1R,2R)-1-fluoro-2-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.05865 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 132.7
[M+Na]+ 203.04787 142.8
[M-H]- 179.05137 138.4
[M+NH4]+ 198.09247 149.1
[M+K]+ 219.02181 140.3
[M+H-H2O]+ 163.05591 126.8
[M+HCOO]- 225.05685 154.3
[M+CH3COO]- 239.07250 181.0
[M+Na-2H]- 201.03332 139.2
[M]+ 180.05810 133.6
[M]- 180.05920 133.6
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

No patent data available for this compound.