CID 3852250

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

Structural Information

Molecular Formula
C16H11BrN2O
SMILES
C1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H11BrN2O/c17-14-6-8-15(9-7-14)19-10-13(11-20)16(18-19)12-4-2-1-3-5-12/h1-11H
InChIKey
PJIWMIUCRHRIPQ-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

326.0055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.01278 169.1
[M+Na]+ 348.99472 175.6
[M+NH4]+ 344.03932 173.9
[M+K]+ 364.96866 174.7
[M-H]- 324.99822 172.6
[M+Na-2H]- 346.98017 175.9
[M]+ 326.00495 170.0
[M]- 326.00605 170.0
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