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

16
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 125.0
[M+Na]+ 194.95283 138.8
[M-H]- 170.95633 129.4
[M+NH4]+ 189.99743 148.4
[M+K]+ 210.92677 128.5
[M+H-H2O]+ 154.96087 125.0
[M+HCOO]- 216.96181 147.0
[M+CH3COO]- 230.97746 176.1
[M+Na-2H]- 192.93828 133.5
[M]+ 171.96306 143.6
[M]- 171.96416 143.6
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

patents stripe