CID 46835486

207502-65-6

Structural Information

Molecular Formula
C9H7F3N2O3
SMILES
C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O
InChI
InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)
InChIKey
AXMBYGGSBXWTEY-UHFFFAOYSA-N
Compound name
2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

40
Patents

248.04088 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04816 147.6
[M+Na]+ 271.03010 155.2
[M-H]- 247.03360 144.9
[M+NH4]+ 266.07470 162.3
[M+K]+ 287.00404 152.7
[M+H-H2O]+ 231.03814 138.5
[M+HCOO]- 293.03908 164.7
[M+CH3COO]- 307.05473 190.8
[M+Na-2H]- 269.01555 151.6
[M]+ 248.04033 143.1
[M]- 248.04143 143.1
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.