CID 84662969

2-(4-bromo-1h-pyrazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H7BrN2O
SMILES
C1=NNC(=C1Br)CCO
InChI
InChI=1S/C5H7BrN2O/c6-4-3-7-8-5(4)1-2-9/h3,9H,1-2H2,(H,7,8)
InChIKey
FJVDGECFZDFLNL-UHFFFAOYSA-N
Compound name
2-(4-bromo-1H-pyrazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.97418 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.981456 131.4
[M+Na]+ 212.963398 143.7
[M-H]- 188.966904 132.9
[M+NH4]+ 208.008003 152.6
[M+K]+ 228.937338 132.5
[M+H-H2O]+ 172.971440 131.2
[M+HCOO]- 234.972381 150.4
[M+CH3COO]- 248.988031 173.8
[M+Na-2H]- 210.948846 138.6
[M]+ 189.97363142 148.2
[M]- 189.97472858 148.2
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.