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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.98568	156.5
[M+Na]+	297.96762	172.2
[M+NH4]+	293.01222	165.0
[M+K]+	313.94156	165.5
[M-H]-	273.97112	159.6
[M+Na-2H]-	295.95307	163.8
[M]+	274.97785	160.5
[M]-	274.97895	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe