CID 820140

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

Structural Information

Molecular Formula
C10H7BrN2O
SMILES
C1=CC(=CC=C1N2C=C(C=N2)C=O)Br
InChI
InChI=1S/C10H7BrN2O/c11-9-1-3-10(4-2-9)13-6-8(7-14)5-12-13/h1-7H
InChIKey
CSVXEJDVTQWKNV-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

249.97418 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.98146 143.8
[M+Na]+ 272.96340 157.3
[M-H]- 248.96690 151.2
[M+NH4]+ 268.00800 164.1
[M+K]+ 288.93734 146.0
[M+H-H2O]+ 232.97144 142.8
[M+HCOO]- 294.97238 165.8
[M+CH3COO]- 308.98803 188.8
[M+Na-2H]- 270.94885 151.1
[M]+ 249.97363 163.5
[M]- 249.97473 163.5
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

patents stripe