CID 211136

22390-55-2

Structural Information

Molecular Formula
C7H7ClN2O3
SMILES
CC1=CC(=C(N=N1)Cl)OCC(=O)O
InChI
InChI=1S/C7H7ClN2O3/c1-4-2-5(7(8)10-9-4)13-3-6(11)12/h2H,3H2,1H3,(H,11,12)
InChIKey
LTZWBKYJDFECTK-UHFFFAOYSA-N
Compound name
2-(3-chloro-6-methylpyridazin-4-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.01453 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02181 136.1
[M+Na]+ 225.00375 146.4
[M-H]- 201.00725 136.2
[M+NH4]+ 220.04835 153.0
[M+K]+ 240.97769 143.4
[M+H-H2O]+ 185.01179 130.0
[M+HCOO]- 247.01273 152.4
[M+CH3COO]- 261.02838 180.3
[M+Na-2H]- 222.98920 142.0
[M]+ 202.01398 140.0
[M]- 202.01508 140.0
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

No patent data available for this compound.