CID 820140

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

Structural Information

Molecular Formula
C10H7BrN2O
SMILES
C1=CC(=CC=C1N2C=C(C=N2)C=O)Br
InChI
InChI=1S/C10H7BrN2O/c11-9-1-3-10(4-2-9)13-6-8(7-14)5-12-13/h1-7H
InChIKey
CSVXEJDVTQWKNV-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 143.8
[M+Na]+ 272.963398 157.3
[M-H]- 248.966904 151.2
[M+NH4]+ 268.008003 164.1
[M+K]+ 288.937338 146.0
[M+H-H2O]+ 232.971440 142.8
[M+HCOO]- 294.972381 165.8
[M+CH3COO]- 308.988031 188.8
[M+Na-2H]- 270.948846 151.1
[M]+ 249.97363142 163.5
[M]- 249.97472858 163.5
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