CID 105506617

1781057-79-1

Structural Information

Molecular Formula
C11H9ClF2O2
SMILES
C1C(CC1(F)F)(C2=CC(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C11H9ClF2O2/c12-8-3-1-2-7(4-8)10(9(15)16)5-11(13,14)6-10/h1-4H,5-6H2,(H,15,16)
InChIKey
UIHUWWOWVMHCHE-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02591 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03319 144.8
[M+Na]+ 269.01513 154.2
[M-H]- 245.01863 148.4
[M+NH4]+ 264.05973 160.1
[M+K]+ 284.98907 152.1
[M+H-H2O]+ 229.02317 135.5
[M+HCOO]- 291.02411 159.0
[M+CH3COO]- 305.03976 190.8
[M+Na-2H]- 267.00058 149.4
[M]+ 246.02536 152.3
[M]- 246.02646 152.3
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.