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 131.7
[M+Na]+ 224.96340 145.8
[M-H]- 200.96690 136.2
[M+NH4]+ 220.00800 154.2
[M+K]+ 240.93734 135.6
[M+H-H2O]+ 184.97144 131.5
[M+HCOO]- 246.97238 153.5
[M+CH3COO]- 260.98803 181.8
[M+Na-2H]- 222.94885 139.0
[M]+ 201.97363 152.3
[M]- 201.97473 152.3
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.