CID 10944163

2,3,5-trichloropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C6H2Cl3NO2
SMILES
C1=C(C(=C(C(=N1)Cl)Cl)C(=O)O)Cl
InChI
InChI=1S/C6H2Cl3NO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12)
InChIKey
TYMTYHMQJHSRIF-UHFFFAOYSA-N
Compound name
2,3,5-trichloropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

224.91512 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.92240 134.1
[M+Na]+ 247.90434 145.8
[M-H]- 223.90784 134.3
[M+NH4]+ 242.94894 152.0
[M+K]+ 263.87828 140.5
[M+H-H2O]+ 207.91238 131.0
[M+HCOO]- 269.91332 141.4
[M+CH3COO]- 283.92897 184.1
[M+Na-2H]- 245.88979 138.1
[M]+ 224.91457 137.0
[M]- 224.91567 137.0
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