CID 7017423

1-(4-bromo-1-methyl-1h-pyrazol-5-yl)ethanone

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

CC(=O)C1=C(C=NN1C)Br

InChI

InChI=1S/C6H7BrN2O/c1-4(10)6-5(7)3-8-9(6)2/h3H,1-2H3

InChIKey

DSOXXTVBGWJNLF-UHFFFAOYSA-N

Compound name

1-(4-bromo-2-methylpyrazol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 201.97418 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe