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]+ 246.073636 152.2
[M+Na]+ 268.055578 159.1
[M-H]- 244.059084 152.5
[M+NH4]+ 263.100183 162.9
[M+K]+ 284.029518 159.0
[M+H-H2O]+ 228.063620 138.9
[M+HCOO]- 290.064561 166.5
[M+CH3COO]- 304.080211 191.3
[M+Na-2H]- 266.041026 156.3
[M]+ 245.06581142 155.5
[M]- 245.06690858 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.