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]+ 190.98146 138.3
[M+Na]+ 212.96340 140.0
[M+NH4]+ 208.00800 142.1
[M+K]+ 228.93734 142.2
[M-H]- 188.96690 136.3
[M+Na-2H]- 210.94885 139.7
[M]+ 189.97363 136.5
[M]- 189.97473 136.5
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.