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-methylpyridin-3-yl]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]+ 290.01750 155.3
[M+Na]+ 311.99944 167.5
[M-H]- 288.00294 163.7
[M+NH4]+ 307.04404 173.7
[M+K]+ 327.97338 155.6
[M+H-H2O]+ 272.00748 154.2
[M+HCOO]- 334.00842 175.4
[M+CH3COO]- 348.02407 199.4
[M+Na-2H]- 309.98489 161.2
[M]+ 289.00967 174.9
[M]- 289.01077 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.