CID 84694269

1782868-41-0

Structural Information

Molecular Formula
C10H8F3NO2
SMILES
C1CC1C2=NC(=CC(=C2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-6(9(15)16)3-7(14-8)5-1-2-5/h3-5H,1-2H2,(H,15,16)
InChIKey
SAZMXYGRFBABPD-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

231.05072 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05800 156.2
[M+Na]+ 254.03994 165.1
[M+NH4]+ 249.08454 161.0
[M+K]+ 270.01388 162.7
[M-H]- 230.04344 158.9
[M+Na-2H]- 252.02539 161.5
[M]+ 231.05017 158.8
[M]- 231.05127 158.8
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