CID 167729933

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

Structural Information

Molecular Formula
C6H8BrIN2O
SMILES
C1=C(C=NN1C(CO)CI)Br
InChI
InChI=1S/C6H8BrIN2O/c7-5-2-9-10(3-5)6(1-8)4-11/h2-3,6,11H,1,4H2
InChIKey
ZNMUWBNJWMDQET-UHFFFAOYSA-N
Compound name
2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.88647 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.89375 146.8
[M+Na]+ 352.87569 151.8
[M-H]- 328.87919 143.1
[M+NH4]+ 347.92029 162.6
[M+K]+ 368.84963 147.3
[M+H-H2O]+ 312.88373 142.6
[M+HCOO]- 374.88467 161.1
[M+CH3COO]- 388.90032 190.6
[M+Na-2H]- 350.86114 141.2
[M]+ 329.88592 161.9
[M]- 329.88702 161.9
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.