CID 3858207

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

Structural Information

Molecular Formula
C16H10BrFN2O
SMILES
C1=CC(=CC=C1C2=NN(C=C2C=O)C3=CC=C(C=C3)F)Br
InChI
InChI=1S/C16H10BrFN2O/c17-13-3-1-11(2-4-13)16-12(10-21)9-20(19-16)15-7-5-14(18)6-8-15/h1-10H
InChIKey
ZRWQEKSANANTKF-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.99606 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.00334 170.0
[M+Na]+ 366.98528 183.6
[M-H]- 342.98878 179.3
[M+NH4]+ 362.02988 186.5
[M+K]+ 382.95922 170.4
[M+H-H2O]+ 326.99332 167.1
[M+HCOO]- 388.99426 190.2
[M+CH3COO]- 403.00991 183.9
[M+Na-2H]- 364.97073 174.0
[M]+ 343.99551 189.0
[M]- 343.99661 189.0
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

No patent data available for this compound.