CID 3794679

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

Structural Information

Molecular Formula
C16H10BrClN2O
SMILES
C1=CC(=CC=C1C2=NN(C=C2C=O)C3=CC=C(C=C3)Br)Cl
InChI
InChI=1S/C16H10BrClN2O/c17-13-3-7-15(8-4-13)20-9-12(10-21)16(19-20)11-1-5-14(18)6-2-11/h1-10H
InChIKey
OGHMKEWZVYTYRT-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.9665 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.97378 176.0
[M+Na]+ 382.95572 183.5
[M+NH4]+ 378.00032 180.9
[M+K]+ 398.92966 181.7
[M-H]- 358.95922 179.5
[M+Na-2H]- 380.94117 182.4
[M]+ 359.96595 177.3
[M]- 359.96705 177.3
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.