CID 4057035

618098-21-8

Structural Information

Molecular Formula
C15H11Br2N3
SMILES
C1=CC(=CC=C1C2=NN(C(=C2)N)C3=CC=C(C=C3)Br)Br
InChI
InChI=1S/C15H11Br2N3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKey
PJGRZPFSQWYJRU-UHFFFAOYSA-N
Compound name
2,5-bis(4-bromophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.93198 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.93926 164.6
[M+Na]+ 413.92120 175.6
[M-H]- 389.92470 174.3
[M+NH4]+ 408.96580 179.8
[M+K]+ 429.89514 159.5
[M+H-H2O]+ 373.92924 171.1
[M+HCOO]- 435.93018 180.8
[M+CH3COO]- 449.94583 177.5
[M+Na-2H]- 411.90665 169.2
[M]+ 390.93143 197.6
[M]- 390.93253 197.6
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.