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[3,2-c]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]+ 186.95017 128.0
[M+Na]+ 208.93211 143.2
[M-H]- 184.93561 133.2
[M+NH4]+ 203.97671 151.7
[M+K]+ 224.90605 134.0
[M+H-H2O]+ 168.94015 128.9
[M+HCOO]- 230.94109 149.8
[M+CH3COO]- 244.95674 145.0
[M+Na-2H]- 206.91756 137.5
[M]+ 185.94234 148.4
[M]- 185.94344 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.