CID 82983404

1547707-34-5

Structural Information

Molecular Formula
C11H11FO3
SMILES
C1C(C1(C2=CC(=CC=C2)F)C(=O)O)CO
InChI
InChI=1S/C11H11FO3/c12-9-3-1-2-7(4-9)11(10(14)15)5-8(11)6-13/h1-4,8,13H,5-6H2,(H,14,15)
InChIKey
VZIJCFPIZIUSON-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06923 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07651 139.0
[M+Na]+ 233.05845 149.1
[M-H]- 209.06195 143.5
[M+NH4]+ 228.10305 153.8
[M+K]+ 249.03239 145.7
[M+H-H2O]+ 193.06649 133.4
[M+HCOO]- 255.06743 159.0
[M+CH3COO]- 269.08308 184.6
[M+Na-2H]- 231.04390 144.1
[M]+ 210.06868 140.5
[M]- 210.06978 140.5
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.