CID 2769585

19652-14-3

Structural Information

Molecular Formula
C15H12ClN3
SMILES
C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C15H12ClN3/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h1-10H,17H2
InChIKey
ZLGORAQNGFCUFU-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

48
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

literature stripe

Patent stripe

patents stripe