CID 114335189

2-[(3,6-dichloropyridazin-4-yl)oxy]acetic acid

Structural Information

Molecular Formula
C6H4Cl2N2O3
SMILES
C1=C(C(=NN=C1Cl)Cl)OCC(=O)O
InChI
InChI=1S/C6H4Cl2N2O3/c7-4-1-3(6(8)10-9-4)13-2-5(11)12/h1H,2H2,(H,11,12)
InChIKey
JDLRNDISEKJOKF-UHFFFAOYSA-N
Compound name
2-(3,6-dichloropyridazin-4-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.9599 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96718 135.4
[M+Na]+ 244.94912 146.2
[M-H]- 220.95262 135.0
[M+NH4]+ 239.99372 151.8
[M+K]+ 260.92306 142.3
[M+H-H2O]+ 204.95716 130.1
[M+HCOO]- 266.95810 147.0
[M+CH3COO]- 280.97375 182.1
[M+Na-2H]- 242.93457 141.2
[M]+ 221.95935 139.8
[M]- 221.96045 139.8
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.