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-dichloropyridin-2-yl)oxyacetic 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]+ 221.97193 136.2
[M+Na]+ 243.95387 146.8
[M-H]- 219.95737 137.2
[M+NH4]+ 238.99847 154.1
[M+K]+ 259.92781 142.6
[M+H-H2O]+ 203.96191 131.9
[M+HCOO]- 265.96285 148.9
[M+CH3COO]- 279.97850 182.3
[M+Na-2H]- 241.93932 141.4
[M]+ 220.96410 140.6
[M]- 220.96520 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.