CID 2060032

106259-87-4

Structural Information

Molecular Formula
C10H8Cl3N3
SMILES
CC1=NN(C(=C1)N)C2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C10H8Cl3N3/c1-5-2-9(14)16(15-5)10-7(12)3-6(11)4-8(10)13/h2-4H,14H2,1H3
InChIKey
ABLOGSPAFQBNMG-UHFFFAOYSA-N
Compound name
5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

274.9784 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98568 158.1
[M+Na]+ 297.96762 170.6
[M-H]- 273.97112 160.6
[M+NH4]+ 293.01222 174.7
[M+K]+ 313.94156 163.4
[M+H-H2O]+ 257.97566 151.5
[M+HCOO]- 319.97660 166.4
[M+CH3COO]- 333.99225 169.7
[M+Na-2H]- 295.95307 158.5
[M]+ 274.97785 160.4
[M]- 274.97895 160.4
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