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 157.7
[M+Na]+ 297.96762 169.4
[M-H]- 273.97112 159.9
[M+NH4]+ 293.01222 174.1
[M+K]+ 313.94156 162.2
[M+H-H2O]+ 257.97566 150.9
[M+HCOO]- 319.97660 166.1
[M+CH3COO]- 333.99225 169.1
[M+Na-2H]- 295.95307 158.9
[M]+ 274.97785 159.7
[M]- 274.97895 159.7
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.