CID 28937717

1037131-07-9

Structural Information

Molecular Formula
C11H10ClFO2
SMILES
C1CC(C1)(C2=C(C=CC=C2Cl)F)C(=O)O
InChI
InChI=1S/C11H10ClFO2/c12-7-3-1-4-8(13)9(7)11(10(14)15)5-2-6-11/h1,3-4H,2,5-6H2,(H,14,15)
InChIKey
FZJYVCRHMAABKJ-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03534 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04262 141.3
[M+Na]+ 251.02456 149.7
[M-H]- 227.02806 145.8
[M+NH4]+ 246.06916 155.4
[M+K]+ 266.99850 148.0
[M+H-H2O]+ 211.03260 131.7
[M+HCOO]- 273.03354 156.4
[M+CH3COO]- 287.04919 188.5
[M+Na-2H]- 249.01001 145.5
[M]+ 228.03479 149.5
[M]- 228.03589 149.5
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.