CID 4292857

3-(4-bromophenyl)-1-(3-chlorophenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C15H11BrClN3
SMILES
C1=CC(=CC(=C1)Cl)N2C(=CC(=N2)C3=CC=C(C=C3)Br)N
InChI
InChI=1S/C15H11BrClN3/c16-11-6-4-10(5-7-11)14-9-15(18)20(19-14)13-3-1-2-12(17)8-13/h1-9H,18H2
InChIKey
YEFAYRRKLGPSLD-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-2-(3-chlorophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.98248 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.98976 170.1
[M+Na]+ 369.97170 183.9
[M-H]- 345.97520 179.9
[M+NH4]+ 365.01630 186.9
[M+K]+ 385.94564 169.0
[M+H-H2O]+ 329.97974 167.9
[M+HCOO]- 391.98068 187.1
[M+CH3COO]- 405.99633 183.9
[M+Na-2H]- 367.95715 174.3
[M]+ 346.98193 189.5
[M]- 346.98303 189.5
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.