CID 2973276

618098-26-3

Structural Information

Molecular Formula
C15H12ClN3
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H12ClN3/c16-12-7-4-8-13(9-12)19-15(17)10-14(18-19)11-5-2-1-3-6-11/h1-10H,17H2
InChIKey
GZEMJWSTADRWPR-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-5-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.07196 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07924 160.4
[M+Na]+ 292.06118 170.6
[M-H]- 268.06468 167.5
[M+NH4]+ 287.10578 176.1
[M+K]+ 308.03512 163.3
[M+H-H2O]+ 252.06922 151.2
[M+HCOO]- 314.07016 179.6
[M+CH3COO]- 328.08581 172.6
[M+Na-2H]- 290.04663 164.3
[M]+ 269.07141 160.7
[M]- 269.07251 160.7
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.