CID 118948813

2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C10H8F3NO2
SMILES
C1CC1(C2=NC=CC(=C2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C10H8F3NO2/c11-10(12,13)9(2-3-9)7-5-6(8(15)16)1-4-14-7/h1,4-5H,2-3H2,(H,15,16)
InChIKey
SARGGQFJDMZIEU-UHFFFAOYSA-N
Compound name
2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

231.05072 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05800 143.0
[M+Na]+ 254.03994 153.5
[M-H]- 230.04344 144.6
[M+NH4]+ 249.08454 156.1
[M+K]+ 270.01388 150.0
[M+H-H2O]+ 214.04798 134.8
[M+HCOO]- 276.04892 159.8
[M+CH3COO]- 290.06457 188.5
[M+Na-2H]- 252.02539 149.0
[M]+ 231.05017 141.5
[M]- 231.05127 141.5
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

patents stripe