CID 155937691

1-(3-bromo-1-methyl-1h-pyrazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CC(=O)C1=CC(=NN1C)Br
InChI
InChI=1S/C6H7BrN2O/c1-4(10)5-3-6(7)8-9(5)2/h3H,1-2H3
InChIKey
QMCJSGVYYHLENK-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-methylpyrazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.97418 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 138.1
[M+Na]+ 224.96340 140.6
[M+NH4]+ 220.00800 142.0
[M+K]+ 240.93734 143.1
[M-H]- 200.96690 136.7
[M+Na-2H]- 222.94885 139.9
[M]+ 201.97363 136.7
[M]- 201.97473 136.7
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.

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No patent data available for this compound.