CID 16640641

925146-38-9

Structural Information

Molecular Formula
C7H7BrN4
SMILES
CN1C=C(C=N1)C2=C(C=NN2)Br
InChI
InChI=1S/C7H7BrN4/c1-12-4-5(2-10-12)7-6(8)3-9-11-7/h2-4H,1H3,(H,9,11)
InChIKey
KFDMAELXRTZPPX-UHFFFAOYSA-N
Compound name
4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.98541 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.992686 136.5
[M+Na]+ 248.974628 151.6
[M-H]- 224.978134 141.1
[M+NH4]+ 244.019233 156.5
[M+K]+ 264.948568 140.5
[M+H-H2O]+ 208.982670 135.2
[M+HCOO]- 270.983611 157.5
[M+CH3COO]- 284.999261 152.2
[M+Na-2H]- 246.960076 143.2
[M]+ 225.98486142 155.8
[M]- 225.98595858 155.8
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.