CID 4201982

3-(3-bromophenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H7BrN2O
SMILES
C1=CC(=CC(=C1)Br)C2=C(C=NN2)C=O
InChI
InChI=1S/C10H7BrN2O/c11-9-3-1-2-7(4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
InChIKey
YMIUREILNBMIQQ-UHFFFAOYSA-N
Compound name
5-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.97418 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.981456 144.7
[M+Na]+ 272.963398 157.7
[M-H]- 248.966904 150.9
[M+NH4]+ 268.008003 164.3
[M+K]+ 288.937338 145.5
[M+H-H2O]+ 232.971440 143.9
[M+HCOO]- 294.972381 165.3
[M+CH3COO]- 308.988031 159.7
[M+Na-2H]- 270.948846 151.5
[M]+ 249.97363142 162.7
[M]- 249.97472858 162.7
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.