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]+ 211.076506 139.0
[M+Na]+ 233.058448 149.1
[M-H]- 209.061954 143.5
[M+NH4]+ 228.103053 153.8
[M+K]+ 249.032388 145.7
[M+H-H2O]+ 193.066490 133.4
[M+HCOO]- 255.067431 159.0
[M+CH3COO]- 269.083081 184.6
[M+Na-2H]- 231.043896 144.1
[M]+ 210.06868142 140.5
[M]- 210.06977858 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.