CID 877275

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

Structural Information

Molecular Formula
C16H11BrN2O
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Br)C=O
InChI
InChI=1S/C16H11BrN2O/c17-14-6-4-5-12(9-14)16-13(11-20)10-19(18-16)15-7-2-1-3-8-15/h1-11H
InChIKey
IODNBYBZEIGTHI-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

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No patent data available for this compound.