CID 129916566

5-bromo-1h-furo[3,2-c]pyrazole

Structural Information

Molecular Formula
C5H3BrN2O
SMILES
C1=C(OC2=C1NN=C2)Br
InChI
InChI=1S/C5H3BrN2O/c6-5-1-3-4(9-5)2-7-8-3/h1-2H,(H,7,8)
InChIKey
YCFLKAVAKRAPFY-UHFFFAOYSA-N
Compound name
5-bromo-1H-furo[2,3-d]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.94289 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.950166 128.0
[M+Na]+ 208.932108 143.2
[M-H]- 184.935614 133.2
[M+NH4]+ 203.976713 151.7
[M+K]+ 224.906048 134.0
[M+H-H2O]+ 168.940150 128.9
[M+HCOO]- 230.941091 149.8
[M+CH3COO]- 244.956741 145.0
[M+Na-2H]- 206.917556 137.5
[M]+ 185.94234142 148.4
[M]- 185.94343858 148.4
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.