CID 118380

33008-65-0

Structural Information

Molecular Formula
C10H9Cl2N3O2
SMILES
COC1=CC(=C(C(=C1)Cl)N2C(=O)CC(=N2)N)Cl
InChI
InChI=1S/C10H9Cl2N3O2/c1-17-5-2-6(11)10(7(12)3-5)15-9(16)4-8(13)14-15/h2-3H,4H2,1H3,(H2,13,14)
InChIKey
OUWWIVIPQVUTDU-UHFFFAOYSA-N
Compound name
5-amino-2-(2,6-dichloro-4-methoxyphenyl)-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.00717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.014446 156.8
[M+Na]+ 295.996388 168.8
[M-H]- 271.999894 160.8
[M+NH4]+ 291.040993 173.6
[M+K]+ 311.970328 163.0
[M+H-H2O]+ 256.004430 150.1
[M+HCOO]- 318.005371 170.2
[M+CH3COO]- 332.021021 197.3
[M+Na-2H]- 293.981836 157.8
[M]+ 273.00662142 160.0
[M]- 273.00771858 160.0
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

patents stripe