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 131.4
[M+Na]+ 212.96340 143.7
[M-H]- 188.96690 132.9
[M+NH4]+ 208.00800 152.6
[M+K]+ 228.93734 132.5
[M+H-H2O]+ 172.97144 131.2
[M+HCOO]- 234.97238 150.4
[M+CH3COO]- 248.98803 173.8
[M+Na-2H]- 210.94885 138.6
[M]+ 189.97363 148.2
[M]- 189.97473 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.