CID 13498184

4-bromo-1-vinyl-1h-pyrazole

Structural Information

Molecular Formula
C5H5BrN2
SMILES
C=CN1C=C(C=N1)Br
InChI
InChI=1S/C5H5BrN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2
InChIKey
XCFPSTHDQFDHPP-UHFFFAOYSA-N
Compound name
4-bromo-1-ethenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

171.96361 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97089 132.0
[M+Na]+ 194.95283 135.1
[M+NH4]+ 189.99743 136.7
[M+K]+ 210.92677 136.3
[M-H]- 170.95633 131.1
[M+Na-2H]- 192.93828 134.9
[M]+ 171.96306 130.8
[M]- 171.96416 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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