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]+ 264.99712 148.1
[M+Na]+ 286.97906 162.0
[M-H]- 262.98256 155.7
[M+NH4]+ 282.02366 168.1
[M+K]+ 302.95300 150.4
[M+H-H2O]+ 246.98710 147.1
[M+HCOO]- 308.98804 169.7
[M+CH3COO]- 323.00369 192.7
[M+Na-2H]- 284.96451 154.2
[M]+ 263.98929 168.5
[M]- 263.99039 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.