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]+ 226.99269 136.5
[M+Na]+ 248.97463 151.6
[M-H]- 224.97813 141.1
[M+NH4]+ 244.01923 156.5
[M+K]+ 264.94857 140.5
[M+H-H2O]+ 208.98267 135.2
[M+HCOO]- 270.98361 157.5
[M+CH3COO]- 284.99926 152.2
[M+Na-2H]- 246.96008 143.2
[M]+ 225.98486 155.8
[M]- 225.98596 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.