CID 167733585

3-bromo-2-(4-bromo-1h-pyrazol-1-yl)propan-1-ol

Structural Information

Molecular Formula
C6H8Br2N2O
SMILES
C1=C(C=NN1C(CO)CBr)Br
InChI
InChI=1S/C6H8Br2N2O/c7-1-6(4-11)10-3-5(8)2-9-10/h2-3,6,11H,1,4H2
InChIKey
BJXHEQJEZZZTKG-UHFFFAOYSA-N
Compound name
3-bromo-2-(4-bromopyrazol-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.90033 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.90761 138.1
[M+Na]+ 304.88955 149.4
[M-H]- 280.89305 142.1
[M+NH4]+ 299.93415 156.8
[M+K]+ 320.86349 134.4
[M+H-H2O]+ 264.89759 145.7
[M+HCOO]- 326.89853 152.6
[M+CH3COO]- 340.91418 198.2
[M+Na-2H]- 302.87500 144.3
[M]+ 281.89978 171.9
[M]- 281.90088 171.9
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.