CID 16786152

1-[1-(2,5-dichlorophenyl)ethyl]-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H11Cl2N3
SMILES
CC(C1=C(C=CC(=C1)Cl)Cl)N2C(=CC=N2)N
InChI
InChI=1S/C11H11Cl2N3/c1-7(16-11(14)4-5-15-16)9-6-8(12)2-3-10(9)13/h2-7H,14H2,1H3
InChIKey
UNKGHVUVENUSRZ-UHFFFAOYSA-N
Compound name
2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.033 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04028 154.8
[M+Na]+ 278.02222 165.3
[M-H]- 254.02572 158.2
[M+NH4]+ 273.06682 171.9
[M+K]+ 293.99616 158.9
[M+H-H2O]+ 238.03026 147.5
[M+HCOO]- 300.03120 167.7
[M+CH3COO]- 314.04685 166.8
[M+Na-2H]- 276.00767 156.4
[M]+ 255.03245 156.4
[M]- 255.03355 156.4
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

No patent data available for this compound.