CID 21724057

3,4-dibromo-1-phenyl-1h-pyrazole

Structural Information

Molecular Formula
C9H6Br2N2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)Br)Br
InChI
InChI=1S/C9H6Br2N2/c10-8-6-13(12-9(8)11)7-4-2-1-3-5-7/h1-6H
InChIKey
ANUCXPJASFOTJN-UHFFFAOYSA-N
Compound name
3,4-dibromo-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.88977 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.89705 139.9
[M+Na]+ 322.87899 152.4
[M-H]- 298.88249 147.8
[M+NH4]+ 317.92359 158.8
[M+K]+ 338.85293 137.6
[M+H-H2O]+ 282.88703 148.1
[M+HCOO]- 344.88797 156.8
[M+CH3COO]- 358.90362 154.8
[M+Na-2H]- 320.86444 147.6
[M]+ 299.88922 174.3
[M]- 299.89032 174.3
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.