CID 5100185

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

Structural Information

Molecular Formula
C16H10BrClN2O
SMILES
C1=CC(=CC(=C1)Cl)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=O
InChI
InChI=1S/C16H10BrClN2O/c17-13-6-4-11(5-7-13)16-12(10-21)9-20(19-16)15-3-1-2-14(18)8-15/h1-10H
InChIKey
MGNIODWXULCASG-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(3-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 171.8
[M+Na]+ 382.95572 186.2
[M-H]- 358.95922 182.0
[M+NH4]+ 378.00032 188.6
[M+K]+ 398.92966 171.9
[M+H-H2O]+ 342.96376 169.9
[M+HCOO]- 404.96470 188.4
[M+CH3COO]- 418.98035 185.9
[M+Na-2H]- 380.94117 176.0
[M]+ 359.96595 193.6
[M]- 359.96705 193.6
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.