CID 83711956

4-bromo-5-(oxan-4-yl)-1h-pyrazole

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
C1COCCC1C2=C(C=NN2)Br
InChI
InChI=1S/C8H11BrN2O/c9-7-5-10-11-8(7)6-1-3-12-4-2-6/h5-6H,1-4H2,(H,10,11)
InChIKey
YJNDABSNCBHGSG-UHFFFAOYSA-N
Compound name
4-bromo-5-(oxan-4-yl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01276 147.9
[M+Na]+ 252.99470 150.0
[M+NH4]+ 248.03930 152.4
[M+K]+ 268.96864 151.8
[M-H]- 228.99820 149.4
[M+Na-2H]- 250.98015 150.1
[M]+ 230.00493 147.3
[M]- 230.00603 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.