CID 2463145

851208-01-0

Structural Information

Molecular Formula
C8H5ClF3NO3
SMILES
C1=C(C(=O)N(C=C1C(F)(F)F)CC(=O)O)Cl
InChI
InChI=1S/C8H5ClF3NO3/c9-5-1-4(8(10,11)12)2-13(7(5)16)3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKey
DMFPEEFRMXLMLJ-UHFFFAOYSA-N
Compound name
2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.99101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99829 142.0
[M+Na]+ 277.98023 153.7
[M-H]- 253.98373 140.1
[M+NH4]+ 273.02483 158.4
[M+K]+ 293.95417 149.1
[M+H-H2O]+ 237.98827 134.8
[M+HCOO]- 299.98921 154.9
[M+CH3COO]- 314.00486 188.9
[M+Na-2H]- 275.96568 145.8
[M]+ 254.99046 141.6
[M]- 254.99156 141.6
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

patents stripe