CID 155822492

4-bromo-1-(1-ethynylcyclopropyl)-1h-pyrazole

Structural Information

Molecular Formula
C8H7BrN2
SMILES
C#CC1(CC1)N2C=C(C=N2)Br
InChI
InChI=1S/C8H7BrN2/c1-2-8(3-4-8)11-6-7(9)5-10-11/h1,5-6H,3-4H2
InChIKey
WUBZQFLNDRYSGF-UHFFFAOYSA-N
Compound name
4-bromo-1-(1-ethynylcyclopropyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.97926 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 137.4
[M+Na]+ 232.96848 157.9
[M-H]- 208.97198 143.7
[M+NH4]+ 228.01308 155.7
[M+K]+ 248.94242 143.0
[M+H-H2O]+ 192.97652 133.0
[M+HCOO]- 254.97746 156.6
[M+CH3COO]- 268.99311 152.5
[M+Na-2H]- 230.95393 145.5
[M]+ 209.97871 152.1
[M]- 209.97981 152.1
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.