CID 440487

50512-54-4

Structural Information

Molecular Formula
C10H8ClN3O3
SMILES
C1=CC(=C(C(=C1)O)O)N2C(=O)C(=C(C=N2)N)Cl
InChI
InChI=1S/C10H8ClN3O3/c11-8-5(12)4-13-14(10(8)17)6-2-1-3-7(15)9(6)16/h1-4,15-16H,12H2
InChIKey
NGWWIKMKDDRAOU-UHFFFAOYSA-N
Compound name
5-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.02542 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03270 151.3
[M+Na]+ 276.01464 163.3
[M-H]- 252.01814 153.8
[M+NH4]+ 271.05924 165.3
[M+K]+ 291.98858 157.4
[M+H-H2O]+ 236.02268 144.3
[M+HCOO]- 298.02362 167.9
[M+CH3COO]- 312.03927 190.3
[M+Na-2H]- 274.00009 155.8
[M]+ 253.02487 152.3
[M]- 253.02597 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe