CID 2782154

4-bromo-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C4H3BrN2O
SMILES
C1=NNC(=C1Br)C=O
InChI
InChI=1S/C4H3BrN2O/c5-3-1-6-7-4(3)2-8/h1-2H,(H,6,7)
InChIKey
UWGFONONBAIDAF-UHFFFAOYSA-N
Compound name
4-bromo-1H-pyrazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

173.94289 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.950166 124.3
[M+Na]+ 196.932108 137.9
[M-H]- 172.935614 127.4
[M+NH4]+ 191.976713 146.8
[M+K]+ 212.906048 127.3
[M+H-H2O]+ 156.940150 124.3
[M+HCOO]- 218.941091 145.3
[M+CH3COO]- 232.956741 172.6
[M+Na-2H]- 194.917556 132.7
[M]+ 173.94234142 142.0
[M]- 173.94343858 142.0
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

patents stripe