CID 19616673

1006476-90-9

Structural Information

Molecular Formula
C8H9BrN4
SMILES
CCN1C=C(C=N1)C2=C(C=NN2)Br
InChI
InChI=1S/C8H9BrN4/c1-2-13-5-6(3-11-13)8-7(9)4-10-12-8/h3-5H,2H2,1H3,(H,10,12)
InChIKey
XLJWJFWTVOPWPM-UHFFFAOYSA-N
Compound name
4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.00105 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00833 140.9
[M+Na]+ 262.99027 155.6
[M-H]- 238.99377 145.4
[M+NH4]+ 258.03487 160.4
[M+K]+ 278.96421 144.3
[M+H-H2O]+ 222.99831 139.4
[M+HCOO]- 284.99925 161.6
[M+CH3COO]- 299.01490 156.2
[M+Na-2H]- 260.97572 147.1
[M]+ 240.00050 160.6
[M]- 240.00160 160.6
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.