CID 84671200

5-bromo-1,3-dimethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

CC1=NN(C(=C1C=O)Br)C

InChI

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

InChIKey

HFAXDVYLKWBEHA-UHFFFAOYSA-N

Compound name

5-bromo-1,3-dimethylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 201.97418 Da
Monoisotopic Mass: 1.1
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	139.1
[M+Na]+	224.96340	142.2
[M+NH4]+	220.00800	143.1
[M+K]+	240.93734	144.1
[M-H]-	200.96690	137.9
[M+Na-2H]-	222.94885	140.9
[M]+	201.97363	137.9
[M]-	201.97473	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe