CID 167742237

1-cyano-3,3-difluorocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H5F2NO2
SMILES
C1C(CC1(F)F)(C#N)C(=O)O
InChI
InChI=1S/C6H5F2NO2/c7-6(8)1-5(2-6,3-9)4(10)11/h1-2H2,(H,10,11)
InChIKey
NDWIHLWZNLOVTE-UHFFFAOYSA-N
Compound name
1-cyano-3,3-difluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.02884 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03612 136.1
[M+Na]+ 184.01806 140.9
[M+NH4]+ 179.06266 137.9
[M+K]+ 199.99200 132.4
[M-H]- 160.02156 124.1
[M+Na-2H]- 182.00351 136.7
[M]+ 161.02829 131.6
[M]- 161.02939 131.6
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.