CID 7017453

1004194-66-4

Structural Information

Molecular Formula
C10H8Cl3N3
SMILES
C1=CC(=C(C(=C1)Cl)CN2C=C(C(=N2)N)Cl)Cl
InChI
InChI=1S/C10H8Cl3N3/c11-7-2-1-3-8(12)6(7)4-16-5-9(13)10(14)15-16/h1-3,5H,4H2,(H2,14,15)
InChIKey
WZCQIGJJWMCICA-UHFFFAOYSA-N
Compound name
4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.9784 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98568 156.2
[M+Na]+ 297.96762 171.6
[M+NH4]+ 293.01222 164.8
[M+K]+ 313.94156 164.7
[M-H]- 273.97112 159.3
[M+Na-2H]- 295.95307 163.9
[M]+ 274.97785 160.2
[M]- 274.97895 160.2
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.