CID 176464148

Mfcd35253459

Structural Information

Molecular Formula
C9H8F3NO3
SMILES
CC1=NC(=C(C=C1C(=O)O)C(F)(F)F)OC
InChI
InChI=1S/C9H8F3NO3/c1-4-5(8(14)15)3-6(9(10,11)12)7(13-4)16-2/h3H,1-2H3,(H,14,15)
InChIKey
BIAZQXQAIDIPIH-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.04562 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05290 144.0
[M+Na]+ 258.03484 154.3
[M-H]- 234.03834 142.0
[M+NH4]+ 253.07944 160.4
[M+K]+ 274.00878 152.0
[M+H-H2O]+ 218.04288 135.8
[M+HCOO]- 280.04382 160.8
[M+CH3COO]- 294.05947 188.9
[M+Na-2H]- 256.02029 147.5
[M]+ 235.04507 142.6
[M]- 235.04617 142.6
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.