CID 165947456

2866335-12-6

Structural Information

Molecular Formula
C11H10F3NO2
SMILES
C1CC(C1)(C2=C(C=CC=N2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C11H10F3NO2/c12-11(13,14)10(4-2-5-10)8-7(9(16)17)3-1-6-15-8/h1,3,6H,2,4-5H2,(H,16,17)
InChIKey
LEIRQYAJLUHCOW-UHFFFAOYSA-N
Compound name
2-[1-(trifluoromethyl)cyclobutyl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.06636 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07364 152.2
[M+Na]+ 268.05558 159.1
[M-H]- 244.05908 152.5
[M+NH4]+ 263.10018 162.9
[M+K]+ 284.02952 159.0
[M+H-H2O]+ 228.06362 138.9
[M+HCOO]- 290.06456 166.5
[M+CH3COO]- 304.08021 191.3
[M+Na-2H]- 266.04103 156.3
[M]+ 245.06581 155.5
[M]- 245.06691 155.5
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.