CID 73977871

4-bromo-1-(oxetan-3-yl)-1h-pyrazole

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
C1C(CO1)N2C=C(C=N2)Br
InChI
InChI=1S/C6H7BrN2O/c7-5-1-8-9(2-5)6-3-10-4-6/h1-2,6H,3-4H2
InChIKey
JQMOXXCOWYOPHE-UHFFFAOYSA-N
Compound name
4-bromo-1-(oxetan-3-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

201.97418 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 134.4
[M+Na]+ 224.96340 133.7
[M+NH4]+ 220.00800 135.8
[M+K]+ 240.93734 137.6
[M-H]- 200.96690 133.4
[M+Na-2H]- 222.94885 135.5
[M]+ 201.97363 131.8
[M]- 201.97473 131.8
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