CID 61029092

1178302-72-1

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
C1=C(ON=C1)CN2C=C(C=N2)Br
InChI
InChI=1S/C7H6BrN3O/c8-6-3-9-11(4-6)5-7-1-2-10-12-7/h1-4H,5H2
InChIKey
NHPMBHFZXHCLEH-UHFFFAOYSA-N
Compound name
5-[(4-bromopyrazol-1-yl)methyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96942 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97670 135.8
[M+Na]+ 249.95864 150.5
[M-H]- 225.96214 143.1
[M+NH4]+ 245.00324 156.2
[M+K]+ 265.93258 141.8
[M+H-H2O]+ 209.96668 135.0
[M+HCOO]- 271.96762 158.7
[M+CH3COO]- 285.98327 152.5
[M+Na-2H]- 247.94409 144.2
[M]+ 226.96887 157.9
[M]- 226.96997 157.9
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.