CID 50987371

1-allyl-4-bromo-1h-pyrazole

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C=CCN1C=C(C=N1)Br
InChI
InChI=1S/C6H7BrN2/c1-2-3-9-5-6(7)4-8-9/h2,4-5H,1,3H2
InChIKey
KMMQAURXVMBQLW-UHFFFAOYSA-N
Compound name
4-bromo-1-prop-2-enylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

185.97926 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 136.5
[M+Na]+ 208.96848 139.4
[M+NH4]+ 204.01308 141.0
[M+K]+ 224.94242 140.4
[M-H]- 184.97198 135.6
[M+Na-2H]- 206.95393 139.1
[M]+ 185.97871 135.3
[M]- 185.97981 135.3
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

patents stripe