CID 50030

Brn 0188606

Structural Information

Molecular Formula
C7H5Cl2NO3
SMILES
C1=C(C=C(N=C1OCC(=O)O)Cl)Cl
InChI
InChI=1S/C7H5Cl2NO3/c8-4-1-5(9)10-6(2-4)13-3-7(11)12/h1-2H,3H2,(H,11,12)
InChIKey
MPSIVEQXRHPLDX-UHFFFAOYSA-N
Compound name
2-[(4,6-dichloro-2-pyridinyl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.96465 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.971926 136.2
[M+Na]+ 243.953868 146.8
[M-H]- 219.957374 137.2
[M+NH4]+ 238.998473 154.1
[M+K]+ 259.927808 142.6
[M+H-H2O]+ 203.961910 131.9
[M+HCOO]- 265.962851 148.9
[M+CH3COO]- 279.978501 182.3
[M+Na-2H]- 241.939316 141.4
[M]+ 220.96410142 140.6
[M]- 220.96519858 140.6
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.