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 141.8
[M+Na]+ 254.03994 152.3
[M-H]- 230.04344 143.4
[M+NH4]+ 249.08454 153.2
[M+K]+ 270.01388 147.8
[M+H-H2O]+ 214.04798 132.6
[M+HCOO]- 276.04892 158.8
[M+CH3COO]- 290.06457 190.1
[M+Na-2H]- 252.02539 146.0
[M]+ 231.05017 140.2
[M]- 231.05127 140.2
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