CID 51063733

1-(2,6-difluorophenyl)cyclobutanecarboxylic acid

Structural Information

Molecular Formula
C11H10F2O2
SMILES
C1CC(C1)(C2=C(C=CC=C2F)F)C(=O)O
InChI
InChI=1S/C11H10F2O2/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
DYFCQGKQXNYJNN-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.06488 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07216 142.8
[M+Na]+ 235.05410 150.1
[M-H]- 211.05760 146.0
[M+NH4]+ 230.09870 156.3
[M+K]+ 251.02804 150.0
[M+H-H2O]+ 195.06214 131.1
[M+HCOO]- 257.06308 160.9
[M+CH3COO]- 271.07873 187.4
[M+Na-2H]- 233.03955 146.2
[M]+ 212.06433 147.7
[M]- 212.06543 147.7
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