CID 53433089

925006-44-6

Structural Information

Molecular Formula
C14H12BrNO
SMILES
CC1=C(C=CC(=N1)C2=CC=C(C=C2)Br)C(=O)C
InChI
InChI=1S/C14H12BrNO/c1-9-13(10(2)17)7-8-14(16-9)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKey
YSKWXWXSTOWRKS-UHFFFAOYSA-N
Compound name
1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.01022 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.017496 155.3
[M+Na]+ 311.999438 167.5
[M-H]- 288.002944 163.7
[M+NH4]+ 307.044043 173.7
[M+K]+ 327.973378 155.6
[M+H-H2O]+ 272.007480 154.2
[M+HCOO]- 334.008421 175.4
[M+CH3COO]- 348.024071 199.4
[M+Na-2H]- 309.984886 161.2
[M]+ 289.00967142 174.9
[M]- 289.01076858 174.9
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.