CID 61034660

4-bromo-1-[(oxiran-2-yl)methyl]-1h-pyrazole

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
C1C(O1)CN2C=C(C=N2)Br
InChI
InChI=1S/C6H7BrN2O/c7-5-1-8-9(2-5)3-6-4-10-6/h1-2,6H,3-4H2
InChIKey
YZEDFBDUNHTWBE-UHFFFAOYSA-N
Compound name
4-bromo-1-(oxiran-2-ylmethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.97418 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.981456 138.8
[M+Na]+ 224.963398 153.6
[M-H]- 200.966904 147.2
[M+NH4]+ 220.008003 155.2
[M+K]+ 240.937338 143.8
[M+H-H2O]+ 184.971440 137.5
[M+HCOO]- 246.972381 159.8
[M+CH3COO]- 260.988031 154.4
[M+Na-2H]- 222.948846 146.9
[M]+ 201.97363142 160.3
[M]- 201.97472858 160.3
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

No patent data available for this compound.