CID 43141221

1-(4-bromophenyl)-3-(propan-2-yl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C13H13BrN2O
SMILES
CC(C)C1=NN(C=C1C=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H13BrN2O/c1-9(2)13-10(8-17)7-16(15-13)12-5-3-11(14)4-6-12/h3-9H,1-2H3
InChIKey
OREXVZJVFPOEKP-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-propan-2-ylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.02112 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02840 161.0
[M+Na]+ 315.01034 165.1
[M+NH4]+ 310.05494 165.0
[M+K]+ 330.98428 166.0
[M-H]- 291.01384 161.9
[M+Na-2H]- 312.99579 164.6
[M]+ 292.02057 160.7
[M]- 292.02167 160.7
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.