CID 60865975

1-(4-bromophenyl)-5-methyl-1h-pyrazole-4-carboxaldehyde

Structural Information

Molecular Formula
C11H9BrN2O
SMILES
CC1=C(C=NN1C2=CC=C(C=C2)Br)C=O
InChI
InChI=1S/C11H9BrN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-7H,1H3
InChIKey
QGLJXVCTGBJIFQ-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-5-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.98984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.997116 148.1
[M+Na]+ 286.979058 162.0
[M-H]- 262.982564 155.7
[M+NH4]+ 282.023663 168.1
[M+K]+ 302.952998 150.4
[M+H-H2O]+ 246.987100 147.1
[M+HCOO]- 308.988041 169.7
[M+CH3COO]- 323.003691 192.7
[M+Na-2H]- 284.964506 154.2
[M]+ 263.98929142 168.5
[M]- 263.99038858 168.5
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.