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]+ 210.986536 137.4
[M+Na]+ 232.968478 157.9
[M-H]- 208.971984 143.7
[M+NH4]+ 228.013083 155.7
[M+K]+ 248.942418 143.0
[M+H-H2O]+ 192.976520 133.0
[M+HCOO]- 254.977461 156.6
[M+CH3COO]- 268.993111 152.5
[M+Na-2H]- 230.953926 145.5
[M]+ 209.97871142 152.1
[M]- 209.97980858 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.