CID 165771068

3-bromo-1-ethyl-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CCN1C(=CC(=N1)Br)C=O
InChI
InChI=1S/C6H7BrN2O/c1-2-9-5(4-10)3-6(7)8-9/h3-4H,2H2,1H3
InChIKey
PBAKAQGBUYYVQW-UHFFFAOYSA-N
Compound name
5-bromo-2-ethylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 139.5
[M+Na]+ 224.96340 142.3
[M+NH4]+ 220.00800 143.5
[M+K]+ 240.93734 143.9
[M-H]- 200.96690 138.2
[M+Na-2H]- 222.94885 141.5
[M]+ 201.97363 138.2
[M]- 201.97473 138.2
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.