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]+ 202.98146 138.8
[M+Na]+ 224.96340 153.6
[M-H]- 200.96690 147.2
[M+NH4]+ 220.00800 155.2
[M+K]+ 240.93734 143.8
[M+H-H2O]+ 184.97144 137.5
[M+HCOO]- 246.97238 159.8
[M+CH3COO]- 260.98803 154.4
[M+Na-2H]- 222.94885 146.9
[M]+ 201.97363 160.3
[M]- 201.97473 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.