CID 41428

Triclopyr

Structural Information

Molecular Formula
C7H4Cl3NO3
SMILES
C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl
InChI
InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
InChIKey
REEQLXCGVXDJSQ-UHFFFAOYSA-N
Compound name
2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

120
References

32038
Patents

254.92567 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.93295 140.6
[M+Na]+ 277.91489 151.8
[M-H]- 253.91839 140.8
[M+NH4]+ 272.95949 157.4
[M+K]+ 293.88883 146.9
[M+H-H2O]+ 237.92293 137.3
[M+HCOO]- 299.92387 147.9
[M+CH3COO]- 313.93952 189.0
[M+Na-2H]- 275.90034 144.2
[M]+ 254.92512 145.4
[M]- 254.92622 145.4
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.