CID 43141220

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

Structural Information

Molecular Formula
C11H9BrN2O
SMILES
CC1=NN(C=C1C=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H9BrN2O/c1-8-9(7-15)6-14(13-8)11-4-2-10(12)3-5-11/h2-7H,1H3
InChIKey
CTTUVPUCFDKEJP-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 153.6
[M+Na]+ 286.97906 158.3
[M+NH4]+ 282.02366 158.0
[M+K]+ 302.95300 158.8
[M-H]- 262.98256 154.7
[M+Na-2H]- 284.96451 157.9
[M]+ 263.98929 153.4
[M]- 263.99039 153.4
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