CID 105487486

1773508-66-9

Structural Information

Molecular Formula
C11H9F3O2
SMILES
C1C(CC1(F)F)(C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H9F3O2/c12-8-3-1-7(2-4-8)10(9(15)16)5-11(13,14)6-10/h1-4H,5-6H2,(H,15,16)
InChIKey
DLACECDSZPPJNU-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.05547 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06275 147.3
[M+Na]+ 253.04469 155.8
[M-H]- 229.04819 149.8
[M+NH4]+ 248.08929 162.1
[M+K]+ 269.01863 155.3
[M+H-H2O]+ 213.05273 136.0
[M+HCOO]- 275.05367 164.5
[M+CH3COO]- 289.06932 189.9
[M+Na-2H]- 251.03014 151.1
[M]+ 230.05492 151.5
[M]- 230.05602 151.5
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

patents stripe